SCHEMBL6691292

SCHEMBL6691292

O=C(CC1CCCC1)c1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
GRIN2B Q13224 1/20 0.49
PTPN1 P18031 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ABL1 P00519 1/20 0.47
POLB P06746 1/20 0.47
ALPI P09923 1/20 0.47
GAA P10253 1/20 0.47
ALPG P10696 1/20 0.47
APEX1 P27695 1/20 0.47
CASP3 P42574 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
CASP7 P55210 1/20 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
SCHEMBL6692054 0.98 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DGRIN2B
SCHEMBL17141124 0.92 SIGMAR1 (0.53) GRIN2BPTPN1NPC1RAB9AKDM4E
SCHEMBL507518 0.83 NPC1 (0.51) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL2439457 0.82 MAPT (0.56) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL14784803 0.81 DRD2 (0.63) PDE4APDE4BPDE4CPDE4DPTPN1
SCHEMBL2439507 0.81 NPC1 (0.51) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL9846889 0.81 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL9846882 0.81 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DDRD2
SCHEMBL29171625 0.81 NPC1 (0.56) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL2437519 0.81 NPC1 (0.51) PDE4APDE4BPDE4CPDE4DNPC1

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-20040044226-A1 Estrogen receptor modulators DININNO FRANK P (US) 2004-03-04 US disclosed
EP-1328522-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2003-07-23 EP disclosed
WO-2002032373-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2002-04-25 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-20040044226-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA PDE4A 1931/4885PDE4B 2150/4885PDE4C 2596/4885

“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.