SCHEMBL872898

SCHEMBL872898

C/C=C(/C)C(=O)OCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.54
AKR1B10 O60218 3/20 0.51
AKR1B1 P15121 3/20 0.51
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAOB P27338 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
SCHEMBL872900 1.00 HCAR2 (0.54) HCAR2AKR1B10AKR1B1ESR1ESR2
SCHEMBL873497 1.00 HCAR2 (0.54) HCAR2AKR1B10AKR1B1ESR1ESR2
Propionic Acid SCHEMBL28726098 0.94 HCAR2 (0.49) HCAR2AKR1B10AKR1B1ESR1ESR2
Phenylacetic Acid SCHEMBL28249443 0.92 AKR1B1 (0.50) HCAR2AKR1B10AKR1B1ESR1ESR2
SCHEMBL28360113 0.90 LMNA (0.58) AKR1B10AKR1B1TDP1ALDH1A1NPC1
SCHEMBL3292422 0.87 AKR1B10 (0.53) HCAR2AKR1B10AKR1B1ESR1ESR2
SCHEMBL28186332 0.85 HCAR2 (0.50) HCAR2AKR1B10AKR1B1ESR1ESR2
SCHEMBL28363851 0.85 HCAR2 (0.50) HCAR2AKR1B10AKR1B1ESR1ESR2
SCHEMBL27952946 0.84 HCAR2 (0.49) HCAR2AKR1B10AKR1B1ESR1ESR2
SCHEMBL4676018 0.84 HCAR2 (0.54) HCAR2AKR1B10AKR1B1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160089317-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
US-7169746-B2 Perfume composition SHISEIDO CO., LTD. (JP) 2007-01-30 US claimed
US-20040242452-A1 For effecting mental control through psycho-sedation or psycho-stimulation SHISEIDO COMPANY, LTD. (JP) 2004-12-02 US claimed
EP-1424071-A1 PERFUME COMPOSITIONS SHISEIDO COMPANY LIMITED (JP) 2004-06-02 EP claimed
US-10006151-B2 Polyurethane fiber TORAY OPELONTEX CO., LTD. (JP) 2018-06-26 US disclosed
EP-1941870-B1 Perfume Composition comprising perilla aldehyde SHISEIDO CO LTD (JP) 2018-05-09 EP disclosed
EP-2947185-B1 POLYURETHANE FIBER AND ITS USE TORAY OPELONTEX CO LTD (JP) 2018-02-28 EP disclosed
US-9358191-B2 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-06-07 US disclosed
US-20160002827-A1 POLYURETHANE FIBER TORAY OPELONTEX CO., LTD. (JP) 2016-01-07 US disclosed
EP-2947185-A1 POLYURETHANE FIBER Toray Opelontex Co., Ltd (JP) 2015-11-25 EP disclosed
US-8961946-B2 Hair processing agent and method for permanent waving hair SHOWA DENKO K.K. (JP) 2015-02-24 US disclosed
EP-2020225-B1 Fragrance composition KAO CORP (JP) 2014-10-08 EP disclosed
US-20040242452-A1 For effecting mental control through psycho-sedation or psycho-stimulation SHISEIDO COMPANY, LTD. (JP) 2004-12-02 US disclosed
CN-1538840-A Perfume composition ������������ʽ���� 2004-10-20 CN disclosed
CN-1538840-A Perfume composition ������������ʽ���� 2004-10-20 CN disclosed
EP-1424071-A1 PERFUME COMPOSITIONS SHISEIDO COMPANY LIMITED (JP) 2004-06-02 EP disclosed
EP-1424071-A1 PERFUME COMPOSITIONS SHISEIDO COMPANY LIMITED (JP) 2004-06-02 EP disclosed
EP-0112394-B1 PROCESS FOR PREPARING ANGELIC ACID OR ITS ESTER TORAY INDUSTRIES, INC. (JP) 1989-11-02 EP disclosed
US-4613680-A ISOMERIZATION TORAY INDUSTRIES, INC. (JP) 1986-09-23 US disclosed
EP-0112394-A1 PROCESS FOR PREPARING ANGELIC ACID OR ITS ESTER TORAY INDUSTRIES, INC. (JP) 1984-07-04 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 (1 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-20160089317-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS LPO, QDPR, TYR HCAR2 2849/4885AKR1B10 717/4885AKR1B1 1053/4885

“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.