SCHEMBL910548

SCHEMBL910548

COc1ccc(CCC=O)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
ESR1 P03372 1/20 0.56
CYP19A1 P11511 1/20 0.56
ESR2 Q92731 1/20 0.56
TRIM24 O15164 1/20 0.53
TYR P14679 1/20 0.53
TRIM33 Q9UPN9 1/20 0.53
ERN1 O75460 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3625530 0.83 POLB (0.57) POLBESR1CYP19A1ESR2TRIM24
SCHEMBL584252 0.81 APLNR (0.59) ALDH1A1
SCHEMBL3312341 0.81 KMT2A (0.45) POLBTRIM24TYRTRIM33ERN1
SCHEMBL1529037 0.80 TYR (0.65) TYRCYP3A4
SCHEMBL28034772 0.80 MEN1 (0.42) POLBTRIM24TYRTRIM33ERN1
SCHEMBL13690496 0.79 POLB (0.65) POLBESR1CYP19A1ESR2TYR
SCHEMBL27297772 0.79 POLB (0.65) POLBESR1CYP19A1ESR2TRIM24
SCHEMBL2045876 0.78 POLB (0.64) POLBESR1CYP19A1ESR2TRIM24
SCHEMBL7332987 0.78 ADRA1A (0.62) ALDH1A1
SCHEMBL8621322 0.77 POLB (0.63) POLBESR1CYP19A1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102206245-A Method for preparing sweetener doubleNeotame and application of sweetener doubleNeotame in field of feeds ZHIQIANG WANG 2011-10-05 CN claimed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
CN-102206245-A Method for preparing sweetener doubleNeotame and application of sweetener doubleNeotame in field of feeds ZHIQIANG WANG 2011-10-05 CN disclosed
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
EP-2255780-A1 PARAKERATOSIS INHIBITOR, PORE SHRINKING AGENT OR AGENT FOR PREVENTING OR IMPROVING ROUGH SKIN, AND COMPOSITION FOR EXTERNAL USE ON THE SKIN CONTAINING THE SAME Shiseido Company, Ltd. (JP) 2010-12-01 EP disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP disclosed
US-20050175755-A1 Process for production of aspartyl dipeptide ester derivative, novel production intermediate therefor, and process for production thereof AJINOMOTO CO., INC. (JP) 2005-08-11 US disclosed
US-6794531-B2 ARTIFICIAL SWEETENER AJINOMOTO CO., INC. (JP) 2004-09-21 US disclosed
US-20040176472-A1 Process for production of aspartyl dipeptide ester derivative, novel production intermediate therefor, and process for production thereof AJINOMOTO CO., INC. (JP) 2004-09-09 US disclosed
US-20020133037-A1 Process for production of aspartyl dipeptide ester derivative, novel production intermediate therefor, and process for production thereof AJINOMOTO CO. INC (JP) 2002-09-19 US disclosed
EP-1231215-A1 PROCESS FOR THE PRODUCTION OF ASPARTYLDIPEPTIDE ESTER DERIVATIVES, NOVEL INTERMEDIATES THEREFOR AND PROCESS FOR THE PRODUCTION OF THE INTERMEDIATES Ajinomoto Co., Inc. (JP) 2002-08-14 EP 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 (6 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 POLB 1408/4885ESR1 4749/4885CYP19A1 3638/4885
US-20020133037-A1 Process for production of aspartyl dipeptide ester derivative, novel production intermediate therefor, and process for production thereof DPP4, DNPEP, IAPP POLB 2878/4885ESR1 4251/4885CYP19A1 3026/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 POLB 1724/4885ESR1 4286/4885CYP19A1 3564/4885
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same CUTA, GLRA3, ARGLU1 POLB 3814/4885ESR1 2169/4885CYP19A1 4273/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 POLB 882/4885ESR1 4721/4885CYP19A1 3356/4885
US-20040176472-A1 Process for production of aspartyl dipeptide ester derivative, novel production intermediate therefor, and process for production thereof DPP4, DNPEP, IAPP POLB 2878/4885ESR1 4251/4885CYP19A1 3026/4885

“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.