SCHEMBL1245559

SCHEMBL1245559

CCC(=C(C#N)C(=O)Oc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.44
ESR1 P03372 7/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP19A1 P11511 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL717725 0.86 PTGS2 (0.48) ESR1RAB9ANPC1HSD17B10PTGS2
SCHEMBL2369040 0.84 MAPT (0.49) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL2369039 0.84 MAPT (0.49) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL28294576 0.83 RAB9A (0.43) ELANERECQLRAB9ANPC1HSD17B10
SCHEMBL28241536 0.83 RAB9A (0.43) ELANERECQLSMN1; SMN2RAB9ANPC1
SCHEMBL19357469 0.81 ALDH1A1 (0.47) ESR1SMN1; SMN2RAB9APTGS2ALDH1A1
SCHEMBL19357468 0.81 ALDH1A1 (0.47) ESR1SMN1; SMN2RAB9APTGS2ALDH1A1
SCHEMBL23931451 0.81 RAB9A (0.41) ELANEKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL27573023 0.81 RAB9A (0.41) ELANEKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL2882620 0.80 ALDH1A1 (0.48) ELANEKMT2ARAB9ANPC1HSD17B10

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021151452-A1 OIL-IN-WATER-TYPE EMULSION COSMETIC L V M H RECHERCHE (FR) 2021-08-05 WO disclosed
WO-2017132655-A1 PHOTOCHEMICALLY STABLE, NON-LEACHING, BRIDGED POLYSILSESQUIOXANE BASED SUNSCREENS THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-08-03 WO disclosed
EP-3185850-A1 SKIN COLOR-IMPROVING AGENT AND COMPOSITION FOR IMPROVING SKIN COLOR Showa Denko K.K. (JP) 2017-07-05 EP disclosed
WO-2016031634-A1 SKIN COLOR-IMPROVING AGENT AND COMPOSITION FOR IMPROVING SKIN COLOR SHOWA DENKO K. K. (JP) 2016-03-03 WO disclosed
EP-2887921-A2 COPOLYMER HAVING CARBOSILOXANE DENDRIMER STRUCTURE AND COMPOSITION AND COSMETIC CONTAINING THE SAME Dow Corning Toray Co., Ltd. (JP) 2015-07-01 EP disclosed
WO-2014030771-A2 COPOLYMER HAVING CARBOSILOXANE DENDRIMER STRUCTURE AND COMPOSITION AND COSMETIC CONTAINING THE SAME DOW CORNING TORAY CO., LTD. (JP) 2014-02-27 WO disclosed
US-20110082200-A1 5,6,7-TRIHYDROXYHEPTANOIC ACID AND ANALOGS FOR THE TREATMENT OF OCULAR DISEASES AND DISEASES ASSOCIATED WITH HYPERPROLIFERATIVE AND ANGIOGENIC RESPONSES ALCON, INC. (CH) 2011-04-07 US disclosed
US-7879905-B2 treating persons suffering from age-related macular degeneration comprising administering 5,6,7-trihydroxyheptanoic acid analogs such as 5,6,7-trihydroxyheptanoic acid, methyl ester; vision defects ALCON, INC. (CH) 2011-02-01 US disclosed
EP-1809270-B1 5,6,7-TRIHYDROXYHEPTANOIC ACID AND ANALOGS FOR THE TREATMENT OF OCULAR DISEASES AND DISEASES ASSOCIATED WITH HYPERPROLIFERATIVE AND ANGIOGENIC RESPONSES ALCON INC (CH) 2010-03-24 EP disclosed
EP-1809270-A1 5,6,7-TRIHYDROXYHEPTANOIC ACID AND ANALOGS FOR THE TREATMENT OF OCULAR DISEASES AND DISEASES ASSOCIATED WITH HYPERPROLIFERATIVE AND ANGIOGENIC RESPONSES ALCON INC. (CH) 2007-07-25 EP disclosed
WO-2006052950-A1 5,6,7-TRIHYDROXYHEPTANOIC ACID AND ANALOGS FOR THE TREATMENT OF OCULAR DISEASES AND DISEASES ASSOCIATED WITH HYPERPROLIFERATIVE AND ANGIOGENIC RESPONSES ALCON, INC. (CH) 2006-05-18 WO disclosed
US-20060099248-A1 5,6,7-Trihydroxyheptanoic acid and analogs for the treatment of ocular diseases and diseases associated with hyperproliferative and angiogenic responses ALCON, INC. 2006-05-11 US 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-20060099248-A1 5,6,7-Trihydroxyheptanoic acid and analogs for the treatment of ocular diseases and diseases associated with hyperproliferative and angiogenic responses HPGDS, ADCYAP1R1, VEGFA ELANE 826/4885ESR1 4319/4885RECQL 2031/4885
US-20110082200-A1 5,6,7-TRIHYDROXYHEPTANOIC ACID AND ANALOGS FOR THE TREATMENT OF OCULAR DISEASES AND DISEASES ASSOCIATED WITH HYPERPROLIFERATIVE AND ANGIOGENIC RESPONSES HPGDS, ADCYAP1R1, VEGFA ELANE 826/4885ESR1 4319/4885RECQL 2031/4885

“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.