SCHEMBL6439260

SCHEMBL6439260

COc1ccc(-n2c(-c3ccc(C(=O)O)cc3)nc3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.63
ALDH1A1 P00352 6/20 0.61
NPSR1 Q6W5P4 3/20 0.58
RAB9A P51151 2/20 0.58
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
HPGD P15428 2/20 0.54
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 1/20 0.54
CRHBP P24387 1/20 0.54
KMT2A Q03164 1/20 0.54
CRHR2 Q13324 1/20 0.54
PIN1 Q13526 3/20 0.53
RPS6KB1 P23443 1/20 0.53
ROCK1 Q13464 1/20 0.53
MAOA P21397 1/20 0.53

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
SCHEMBL23874011 0.90 ESR1 (0.67) ALDH1A1HDAC1HDAC8HDAC6ESR1
SCHEMBL6441068 0.89 CNR2 (0.62) CNR2ALDH1A1NPSR1RAB9AHDAC1
SCHEMBL6912346 0.89 ALDH1A1 (0.67) CNR2ALDH1A1NPSR1RAB9AHDAC1
SCHEMBL6439028 0.87 ESR1 (0.67) CNR2ALDH1A1NPSR1RAB9AHDAC1
SCHEMBL21760739 0.87 ESR1 (0.62) ALDH1A1HDAC1HDAC8HDAC6ESR1
SCHEMBL30746859 0.87 ESR1 (0.67) CNR2ALDH1A1NPSR1RAB9AHDAC1
SCHEMBL8025747 0.87 ALDH1A1 (0.65) CNR2ALDH1A1NPSR1RAB9AHDAC1
SCHEMBL27154654 0.86 ESR1 (0.59) ALDH1A1HDAC1HDAC8HDAC6ESR1
SCHEMBL21760742 0.86 ESR1 (0.61) ALDH1A1HDAC1HDAC8HDAC6ESR1
SCHEMBL7061814 0.85 ESR2 (0.77) ALDH1A1HDAC1HDAC8HDAC6ESR1

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
EP-1517897-A2 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS ESTROGEN AGONISTS/ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP disclosed
US-20040002524-A1 Benzimidazole compounds and their use as estrogen agonists/antagonists CHESWORTH RICHARD (US) 2004-01-01 US disclosed
WO-2004000817-A2 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS ESTROGEN AGONISTS/ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 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-20040002524-A1 Benzimidazole compounds and their use as estrogen agonists/antagonists ESR1, GPER1, ESR2 CNR2 340/4885ALDH1A1 581/4885NPSR1 668/4885

“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.