SCHEMBL3346923

SCHEMBL3346923

O=C(O)c1cccc(C(O)c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.63
CA2 P00918 2/20 0.63
CA9 Q16790 2/20 0.63
ANPEP P15144 1/20 0.56
ENPEP Q07075 1/20 0.56
KMO O15229 1/20 0.52
SRD5A2 P31213 1/20 0.51
DAO P14920 1/20 0.50
TSHR P16473 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
CA12 O43570 1/20 0.50
CA6 P23280 1/20 0.50
CTSL P07711 1/20 0.49
AKR1C3 P42330 1/20 0.48
LMNA P02545 2/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MAPT P10636 2/20 0.47
PTGS1 P23219 2/20 0.47
CXCR1 P25024 2/20 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
Diphenylmethanol SCHEMBL28538283 0.87 TSHR (0.67) CA1CA2CA9SRD5A2DAO
SCHEMBL15264145 0.86 MAPT (0.64) CA1CA2CA9LMNAMAPT
SCHEMBL2957369 0.85 ANPEP (0.61) CA1CA2CA9ANPEPENPEP
SCHEMBL17064635 0.85 CTSL (0.54) CA1CA2CA9ANPEPENPEP
SCHEMBL10676975 0.85 KMT2A (0.50) CA1CA2CA9CTSLLMNA
SCHEMBL11604147 0.84 ANPEP (0.56) CA1CA2CA9ANPEPENPEP
SCHEMBL4406176 0.83 ANPEP (0.59) CA1CA2CA9ANPEPENPEP
SCHEMBL11604512 0.83 ANPEP (0.59) CA1CA2CA9ANPEPENPEP
SCHEMBL4406179 0.83 ANPEP (0.59) CA1CA2CA9ANPEPENPEP
SCHEMBL1237712 0.83 ANPEP (0.59) CA1CA2CA9ANPEPENPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
EP-2170815-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-04-07 EP disclosed
WO-2008156817-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 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-20100160424-A1 RENIN INHIBITORS ACE, REN, DNPEP CA1 1110/4885CA2 844/4885CA9 1589/4885

“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.