SCHEMBL2883757

SCHEMBL2883757

CC(C(=O)O)c1ccc(CO)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.69
PTGS1 P23219 12/20 0.69
AKR1C3 P42330 3/20 0.69
LMNA P02545 2/20 0.69
CYP2C9 P11712 2/20 0.69
CXCR1 P25024 2/20 0.69
CXCR2 P25025 2/20 0.69
AKR1C2 P52895 2/20 0.69
ALB P02768 1/20 0.69
ESR1 P03372 1/20 0.69
ALOX5 P09917 1/20 0.69
RARB P10826 1/20 0.69
ADRB3 P13945 1/20 0.69
NFKB1 P19838 1/20 0.69
HTR2A P28223 1/20 0.69
NR1I3 Q14994 1/20 0.69
SLC22A6 Q4U2R8 1/20 0.69
CXCL8 P10145 1/20 0.69
TSHR P16473 1/20 0.69
BLM P54132 1/20 0.69

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
SCHEMBL27633561 0.85 PTGS2 (0.50) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL59197 0.84 PTGS2 (0.74) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL30978352 0.84 PTGS2 (0.65) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL1512673 0.83 PTGS2 (0.69) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL29390746 0.83 PTGS2 (0.69) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL6369574 0.82 AKR1C3 (0.77) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL680055 0.82 AKR1C3 (0.77) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL1345506 0.82 PTGS2 (0.67) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL1061942 0.82 PTGS2 (0.67) PTGS2PTGS1AKR1C3LMNACYP2C9
Ibuprofen SCHEMBL239446 0.82 PTGS1 (1.00) PTGS2PTGS1AKR1C3LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4368353-A None JP disclosed
CN-108586233-B Method for synthesizing 2- (4' -bromomethylphenyl) propionate 湖北迅达药业股份有限公司 2021-05-18 CN disclosed
CN-108586233-A The method for synthesizing 2- (4 ' -2-bromomethylphenyl) propionic ester 湖北迅达药业股份有限公司 2018-09-28 CN disclosed
CN-102424681-B Acyl-tetrahydro-beta-carboline compound as well as derivatives, application and preparation method thereof EAST CHINA NORMAL UNIVERSITY (CN) 2014-10-15 CN disclosed
CN-102424681-A Acyl-tetrahydro-beta-carboline compound as well as derivatives, application and preparation method thereof UNIV EAST CHINA NORMAL 2012-04-25 CN disclosed
US-20110212989-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ISOFLAVONES NOVOGEN RESEARCH PTY LTD (AU) 2011-09-01 US disclosed
US-20110212989-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ISOFLAVONES NOVOGEN RESEARCH PTY LTD (AU) 2011-09-01 US disclosed
US-7915308-B2 Therapeutic methods and compositions involving isoflavones NOVOGEN RESEARCH PTY LTD (AU) 2011-03-29 US disclosed
US-7915308-B2 Therapeutic methods and compositions involving isoflavones NOVOGEN RESEARCH PTY LTD (AU) 2011-03-29 US disclosed
US-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 US disclosed
US-20080287528-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ISOFLAVONES NOVOGEN RESEARCH PTY LIMITED (AU) 2008-11-20 US disclosed
US-20080287528-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ISOFLAVONES NOVOGEN RESEARCH PTY LIMITED (AU) 2008-11-20 US disclosed
US-7419998-B2 Therapeutic methods and compositions involving isoflavones NOVOGEN RESEARCH PTY LTD (AU) 2008-09-02 US disclosed
EP-1927352-A2 Therapeutic methods and compositions involving isoflavones Novogen Research Pty. Ltd. (AU) 2008-06-04 EP disclosed
US-7202273-B2 Therapeutic methods and compositions involving isoflavones NOVOGEN RESEARCH PTY LTD (AU) 2007-04-10 US disclosed
JP-H04368353-A PRODUCTION OF 2-(P-FORMYLPHENYL)PROPIONIC ACID SANKYO CO LTD 1992-12-21 JP 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 (3 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-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R PTGS2 1964/4885PTGS1 1485/4885AKR1C3 188/4885
US-20110212989-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ISOFLAVONES C1R, C1S, ESRRA PTGS2 2417/4885PTGS1 1908/4885AKR1C3 21/4885
US-20080287528-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ISOFLAVONES C1R, ESRRA, ESRRB PTGS2 2424/4885PTGS1 1912/4885AKR1C3 26/4885

“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.