SCHEMBL6801159

SCHEMBL6801159

O=C(O)C[C@H](O)Cc1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
PPARG P37231 2/20 0.49
PPARA Q07869 2/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
PIN1 Q13526 1/20 0.48
MMP12 P39900 2/20 0.47
MMP13 P45452 2/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
FCER2 P06734 1/20 0.46
SLC13A5 Q86YT5 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
TRPA1 O75762 1/20 0.45
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45

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
SCHEMBL6795573 1.00 CYP1A2 (0.53) CYP1A2PPARGPPARAHTR2AHTR2C
SCHEMBL6802397 0.85 AKR1C3 (0.53) CYP1A2PPARGPPARAMMP12MMP13
SCHEMBL6798261 0.85 AKR1C3 (0.53) CYP1A2PPARGPPARAMMP12MMP13
SCHEMBL6804161 0.85 HTR2A (0.51) CYP1A2PPARGPPARAHTR2AHTR2C
SCHEMBL6800270 0.85 HTR2A (0.51) CYP1A2PPARGPPARAHTR2AHTR2C
SCHEMBL6799708 0.84 MMP12 (0.65) CYP1A2MMP12MMP13MMP2MMP9
SCHEMBL3094383 0.82 TRPA1 (0.73) CYP1A2TRPA1FFAR1
SCHEMBL1926831 0.82 HTR2A (0.56) CYP1A2PPARGPPARAHTR2AHTR2C
SCHEMBL2031075 0.82 HTR2A (0.56) CYP1A2PPARGPPARAHTR2AHTR2C
SCHEMBL289148 0.82 HTR2A (0.56) CYP1A2PPARGPPARAHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063959-A1 Esters and amides as PLA2 inhibitors FUKAMI NAOKI (JP) 2004-04-01 US disclosed
US-20020169326-A1 Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 2002-11-14 US disclosed
EP-0854863-B1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-30 EP disclosed
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-14 US disclosed
EP-0854863-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed
WO-1997003951-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 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 (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-20040063959-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B CYP1A2 518/4885PPARG 301/4885PPARA 129/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B CYP1A2 588/4885PPARG 376/4885PPARA 154/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B CYP1A2 496/4885PPARG 297/4885PPARA 130/4885

“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.