SCHEMBL4871285

SCHEMBL4871285

C=CCCc1cccc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.56
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
ANPEP P15144 1/20 0.46
ENPEP Q07075 1/20 0.46
MEP1B Q16820 2/20 0.45
KMT2A Q03164 1/20 0.45
NR4A2 P43354 1/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
UNG P13051 1/20 0.44
MRGPRX4 Q96LA9 3/20 0.44
MEP1A Q16819 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 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
SCHEMBL11051205 0.89 FOLH1 (0.51) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL2553810 0.84 FOLH1 (0.58) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL371526 0.83 FOLH1 (0.70) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL13555165 0.83 KMO (0.56) FOLH1NR4A2MRGPRX4
Benzene SCHEMBL28254095 0.82 FOLH1 (0.59) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL715984 0.82 FOLH1 (0.59) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL4878614 0.81 CYP4F2 (0.68) FOLH1HIF1AKMT2ARAB9AKDM4E
SCHEMBL24023447 0.81 GPR52 (0.49) FOLH1NR4A2MRGPRX4
SCHEMBL7472698 0.80 FOLH1 (0.61) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL8764503 0.80 FOLH1 (0.53) FOLH1CYP2D6CYP2C9HIF1AANPEP

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
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 WO disclosed
WO-2006069096-A1 SILANOL DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2006-06-29 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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP FOLH1 64/4885CYP2D6 476/4885CYP2C9 1060/4885

“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.