SCHEMBL3464054

SCHEMBL3464054

OB(C=Cc1ccccc1)Oc1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
TRPA1 O75762 2/20 0.43
MGLL Q99685 1/20 0.41
TUBB1 Q9H4B7 1/20 0.39
CA2 P00918 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 3/20 0.38
BCHE P06276 1/20 0.38
CYP2C19 P33261 1/20 0.38
JAK2 O60674 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
NFE2L2 Q16236 1/20 0.36
APP P05067 1/20 0.35
MAOB P27338 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35

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
SCHEMBL403639 0.74 CA2 (0.43) CA1ESR1ESR2TRPA1CA2
SCHEMBL20469912 0.72 CA1 (0.59) CA1TRPA1MGLLTUBB1TP53
SCHEMBL862053 0.71 CA2 (0.52) CA1ESR1ESR2CA2TP53
SCHEMBL29790333 0.71 CA2 (0.52) CA1ESR1ESR2CA2TP53
SCHEMBL8469357 0.71 CA2 (0.52) CA1ESR1ESR2CA2TP53
SCHEMBL28204119 0.71 TRPA1 (0.48) CA1ESR1ESR2TRPA1TUBB1
Catechol SCHEMBL9641287 0.69 CA2 (0.50) CA1ESR1ESR2CA2TP53
SCHEMBL337282 0.69 CA2 (0.50) CA1ESR1ESR2CA2TP53
Ammonia Solution, Strong SCHEMBL9187024 0.69 CA2 (0.50) CA1ESR1ESR2CA2TP53
SCHEMBL3228199 0.68 CA2 (0.45) CA1ESR1ESR2CA2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652035-B2 CRF receptor antagonists and methods relating thereto Neurocrine Bioscience, Inc. (US) 2010-01-26 US disclosed
EP-1802621-B1 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO SMITHKLINE BEECHAM CORK LTD (IE) 2009-05-06 EP disclosed
US-20080064719-A1 Crf Receptor Antagonists And Methods Relating Thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2008-03-13 US disclosed
EP-1802621-A1 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO SB Pharmco Puerto Rico Inc. (PR) 2007-07-04 EP disclosed
WO-2006044821-A1 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO SB PHARMCO PUERTO RICO INC. (PR) 2006-04-27 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-20080064719-A1 Crf Receptor Antagonists And Methods Relating Thereto CRHR1, CRHR2, SCTR CA1 1240/4885ESR1 323/4885ESR2 466/4885

“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.