SCHEMBL2004632

SCHEMBL2004632

CCCCCCCC/C=C\CCCCCCCCOC(=O)[C@@H](N)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SOAT2 O75908 1/20 0.47
SOAT1 P35610 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2002576 1.00 NPC1 (0.50) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL1997295 1.00 NPC1 (0.50) NPC1RAB9ASMN1; SMN2LMNATSHR
Hydrochloric Acid SCHEMBL2004853 0.99 NPC1 (0.49) NPC1RAB9ASMN1; SMN2LMNATSHR
Hydrochloric Acid SCHEMBL2007424 0.99 NPC1 (0.49) NPC1RAB9ASMN1; SMN2LMNATSHR
Hydrochloric Acid SCHEMBL2004499 0.99 NPC1 (0.49) NPC1RAB9ASMN1; SMN2LMNATSHR
Oleyl Alcohol SCHEMBL4258641 0.94 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNATSHR
Oleyl Alcohol SCHEMBL4263584 0.94 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL27704894 0.92 NPC1 (0.57) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL3806764 0.86 TSHR (0.53) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL8356570 0.86 TSHR (0.53) NPC1RAB9ASMN1; SMN2LMNATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150157588-A1 Pharmaceutical Composition Comprising Amino-Phenyl-Acetic Acid Octadec-(Z)-9-enyl Ester and Use Thereof for Treating Tumors YEDA RES & DEV (IL) 2015-06-11 US claimed
US-7964751-B2 Psoriasis, alopecia, contact dermatitis, atopic dermatitis, allergies, vitiligo or inflammatory skin disorders; esterification reaction of oleyl alcohol and a stereoisomer of phenylglycine chloride hydrochloride in a polar aprotic solvent YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2011-06-21 US claimed
EP-2117301-A1 USE OF LONG-CHAIN ALCOHOL DERIVATIVES FOR THE TREATMENT OF ALOPECIA AREATA Yeda Research And Development Co. Ltd. At The Weizmann Institute of Science (IL) 2009-11-18 EP claimed
EP-2114155-A1 ENANTIOMERS OF AMINO-PHENYL-ACETIC ACID OCTADEC- 9- (Z) ENYL ESTER, THEIR SALTS AND THEIR USES Yeda Research And Development Co. Ltd. At The Weizmann Institute of Science (IL) 2009-11-11 EP claimed
US-20080221209-A1 Psoriasis, alopecia, contact dermatitis, atopic dermatitis, allergies, vitiligo or inflammatory skin disorders; esterification reaction of oleyl alcohol and a stereoisomer of phenylglycine chloride hydrochloride in a polar aprotic solvent YEDA RESEARCH AND DEVELOPMENT CO. (IL) 2008-09-11 US claimed
WO-2008106091-A1 USE OF LONG-CHAIN ALCOHOL DERIVATIVES FOR THE TREATMENT OF ALOPECIA AREATA YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2008-09-04 WO claimed
WO-2008106092-A1 ENANTIOMERS OF AMINO-PHENYL-ACETIC ACID OCTADEC- 9- (Z) ENYL ESTER, THEIR SALTS AND THEIR USES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2008-09-04 WO claimed
US-20150157588-A1 Pharmaceutical Composition Comprising Amino-Phenyl-Acetic Acid Octadec-(Z)-9-enyl Ester and Use Thereof for Treating Tumors YEDA RES & DEV (IL) 2015-06-11 US disclosed
US-20150157588-A1 Pharmaceutical Composition Comprising Amino-Phenyl-Acetic Acid Octadec-(Z)-9-enyl Ester and Use Thereof for Treating Tumors YEDA RES & DEV (IL) 2015-06-11 US disclosed
US-20150157588-A1 Pharmaceutical Composition Comprising Amino-Phenyl-Acetic Acid Octadec-(Z)-9-enyl Ester and Use Thereof for Treating Tumors YEDA RES & DEV (IL) 2015-06-11 US disclosed
EP-2870135-A1 PHARMACEUTICAL COMPOSITION COMPRISING AMINO-PHENYL- ACETIC ACID OCTADEC-(Z)-9-ENYL ESTER AND USE THEREOF FOR TREATING TUMORS Yeda Research and Development Co. Ltd. (IL) 2015-05-13 EP disclosed
WO-2014006625-A1 PHARMACEUTICAL COMPOSITION COMPRISING AMINO-PHENYL- ACETIC ACID OCTADEC-(Z)-9-ENYL ESTER AND USE THEREOF FOR TREATING TUMORS YEDA RESEARCH AND DEVELOPMENT CO. LTD (IL) 2014-01-09 WO disclosed
WO-2014006625-A1 PHARMACEUTICAL COMPOSITION COMPRISING AMINO-PHENYL- ACETIC ACID OCTADEC-(Z)-9-ENYL ESTER AND USE THEREOF FOR TREATING TUMORS YEDA RESEARCH AND DEVELOPMENT CO. LTD (IL) 2014-01-09 WO disclosed
US-7964751-B2 Psoriasis, alopecia, contact dermatitis, atopic dermatitis, allergies, vitiligo or inflammatory skin disorders; esterification reaction of oleyl alcohol and a stereoisomer of phenylglycine chloride hydrochloride in a polar aprotic solvent YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2011-06-21 US disclosed
EP-2114155-A1 ENANTIOMERS OF AMINO-PHENYL-ACETIC ACID OCTADEC- 9- (Z) ENYL ESTER, THEIR SALTS AND THEIR USES Yeda Research And Development Co. Ltd. At The Weizmann Institute of Science (IL) 2009-11-11 EP disclosed
US-20080221209-A1 Psoriasis, alopecia, contact dermatitis, atopic dermatitis, allergies, vitiligo or inflammatory skin disorders; esterification reaction of oleyl alcohol and a stereoisomer of phenylglycine chloride hydrochloride in a polar aprotic solvent YEDA RESEARCH AND DEVELOPMENT CO. (IL) 2008-09-11 US disclosed
US-20080221209-A1 Psoriasis, alopecia, contact dermatitis, atopic dermatitis, allergies, vitiligo or inflammatory skin disorders; esterification reaction of oleyl alcohol and a stereoisomer of phenylglycine chloride hydrochloride in a polar aprotic solvent YEDA RESEARCH AND DEVELOPMENT CO. (IL) 2008-09-11 US disclosed
US-20080221209-A1 Psoriasis, alopecia, contact dermatitis, atopic dermatitis, allergies, vitiligo or inflammatory skin disorders; esterification reaction of oleyl alcohol and a stereoisomer of phenylglycine chloride hydrochloride in a polar aprotic solvent YEDA RESEARCH AND DEVELOPMENT CO. (IL) 2008-09-11 US disclosed
WO-2008106092-A1 ENANTIOMERS OF AMINO-PHENYL-ACETIC ACID OCTADEC- 9- (Z) ENYL ESTER, THEIR SALTS AND THEIR USES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2008-09-04 WO disclosed
WO-2008106092-A1 ENANTIOMERS OF AMINO-PHENYL-ACETIC ACID OCTADEC- 9- (Z) ENYL ESTER, THEIR SALTS AND THEIR USES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2008-09-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080221209-A1 Psoriasis, alopecia, contact dermatitis, atopic dermatitis, allergies, vitiligo or inflammatory skin disorders; esterification reaction of oleyl alcohol and a stereoisomer of phenylglycine chloride hydrochloride in a polar aprotic solvent HLA-DRB1, HLA-C, HLA-A NPC1 3722/4885RAB9A 3158/4885SMN1; SMN2 4843/4885
US-20150157588-A1 Pharmaceutical Composition Comprising Amino-Phenyl-Acetic Acid Octadec-(Z)-9-enyl Ester and Use Thereof for Treating Tumors SLC10A1, CA9, AADAT NPC1 1868/4885RAB9A 468/4885SMN1; SMN2 2749/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.