SCHEMBL2466822

SCHEMBL2466822

CCc1cccc(C(C)C(=O)O)c1CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.44
PTGS1 P23219 4/20 0.44
AKR1C3 P42330 3/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 2/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
CXCL8 P10145 2/20 0.44
AKR1C2 P52895 2/20 0.44
ALB P02768 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX5 P09917 1/20 0.44
RARB P10826 1/20 0.44
ADRB3 P13945 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR2A P28223 1/20 0.44
NR1I3 Q14994 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44

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
Hydrochloric Acid SCHEMBL29155847 0.87 PTGS2 (0.41) PTGS2PTGS1AKR1C3LMNACXCR1
SCHEMBL3155111 0.80 PTGS2 (0.49) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL9119656 0.80 PTGS2 (0.49) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL1394339 0.80 PTGS2 (0.49) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL5983552 0.79 PTGS2 (0.46) PTGS2PTGS1AKR1C3LMNACXCR1
SCHEMBL5112475 0.79 PTGS2 (0.46) PTGS2PTGS1AKR1C3LMNACXCR1
SCHEMBL30222272 0.79 PTGS2 (0.46) PTGS2PTGS1AKR1C3LMNACXCR1
SCHEMBL20954008 0.79 GABRA1 (0.47) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL11243028 0.77 GABRA1 (0.46) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL6916097 0.77 GABRA1 (0.48) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150030549-A1 TOPICAL COMPOSITIONS GREEN MONIQUE RENATA (US) 2015-01-29 US disclosed
EP-1858503-B1 TOPICAL GELS COMPOSITIONS GREEN MONIQUE RENATA (US) 2013-09-04 EP disclosed
US-20110217248-A1 Topical Composition ISW GROUP, INC. (US) 2011-09-08 US disclosed
US-20100158993-A1 Topical Gel Compositions ISW GROUP, INC. (US) 2010-06-24 US disclosed
EP-2066313-A2 TOPICAL COMPOSITIONS ISW Group Inc. (US) 2009-06-10 EP disclosed
US-20080317684-A1 Topical Compositions ISW GROUP, INC. (US) 2008-12-25 US disclosed
WO-2008030359-A2 TOPICAL COMPOSITIONS ISW GROUP, INC. (US) 2008-03-13 WO disclosed
EP-1858503-A1 TOPICAL GELS COMPOSITIONS ISW Group Inc. (US) 2007-11-28 EP disclosed
US-20070053984-A1 Topical gels compositions SPANN-WADE MONIQUE 2007-03-08 US disclosed
WO-2006096360-A1 TOPICAL GELS COMPOSITIONS ISW GROUP, INC. (US) 2006-09-14 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 (5 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-20070053984-A1 Topical gels compositions PTGES, PTGER1, S100A8 PTGS2 15/4885PTGS1 4/4885AKR1C3 84/4885
US-20150030549-A1 TOPICAL COMPOSITIONS PTGER1, PTGES, PTGIS PTGS2 11/4885PTGS1 4/4885AKR1C3 515/4885
US-20110217248-A1 Topical Composition S100A8, S100P, BPTF PTGS2 107/4885PTGS1 76/4885AKR1C3 931/4885
US-20100158993-A1 Topical Gel Compositions PTGES, PTGER1, PTGS1 PTGS2 14/4885PTGS1 3/4885AKR1C3 85/4885
US-20080317684-A1 Topical Compositions PTGER1, PTGES, PTGIS PTGS2 11/4885PTGS1 4/4885AKR1C3 515/4885

“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.