SCHEMBL6181872

SCHEMBL6181872

O=C(O)CC(CCc1ccccc1)Cc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.55
DPP4 P27487 1/20 0.52
ANPEP P15144 2/20 0.49
ERAP2 Q6P179 2/20 0.49
ERAP1 Q9NZ08 2/20 0.49
LAP3 P28838 1/20 0.49
ENPEP Q07075 1/20 0.49
MMP12 P39900 3/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
MMP14 P50281 1/20 0.49
ACE P12821 2/20 0.48
CPA1 P15085 2/20 0.47
CPB1 P15086 1/20 0.47
CPA3 P15088 1/20 0.47
CPB2 Q96IY4 1/20 0.47
FFAR1 O14842 1/20 0.47
OPRK1 P41145 1/20 0.47
FNTA P49354 1/20 0.46

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
SCHEMBL6176180 0.89 CPA1 (0.55) TRPV1CPA1CPB1CPA3CPB2
SCHEMBL11232977 0.87 CA2 (0.50) TRPV1DPP4MMP12MMP2MMP9
SCHEMBL9224378 0.87 OPRK1 (0.54) TRPV1DPP4ANPEPERAP2ERAP1
SCHEMBL27575744 0.84 TRPV1 (0.49) TRPV1DPP4ANPEPERAP2ERAP1
SCHEMBL11220981 0.83 SLC7A5 (0.55) TRPV1CPA1CPB1CPA3CPB2
SCHEMBL18065715 0.83 MMP12 (0.56) DPP4MMP12MMP2MMP9MMP13
SCHEMBL6177946 0.82 MMP1 (0.56) MMP12MMP2MMP9FFAR1KDM4E
SCHEMBL5807651 0.81 OPRK1 (0.59) DPP4OPRK1FNTAFNTBKDM4E
SCHEMBL11460484 0.79 CPA3 (0.64) MMP12MMP2MMP9CPA1CPB1
SCHEMBL6176552 0.79 CPA3 (0.64) MMP12MMP2MMP9CPA1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 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 (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-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR TRPV1 2161/4885DPP4 3771/4885ANPEP 277/4885

“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.