SCHEMBL12290803

SCHEMBL12290803

N#Cc1cccc(O)c1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ESR2 Q92731 1/20 0.35
AR P10275 1/20 0.35
LDHA P00338 3/20 0.35
LDHB P07195 3/20 0.35
TSHR P16473 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
SOS2 Q07890 1/20 0.33
IKBKB O14920 1/20 0.33
GRM2 Q14416 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL16959151 0.81 CHRNB2 (0.36) KDM4EALDH1A1CHRNB2CHRNA4HDAC4
SCHEMBL28293786 0.81 CHRNB2 (0.36) KDM4EALDH1A1CHRNB2CHRNA4TSHR
SCHEMBL28032574 0.77 LDHA (0.43) KDM4EALDH1A1LDHALDHBTSHR
SCHEMBL15824503 0.77 TSHR (0.52) KDM4EALDH1A1LDHALDHBTSHR
SCHEMBL16955196 0.77 KDM4E (0.39) KDM4EALDH1A1TSHRGABRA1GABRG2
SCHEMBL16956832 0.77 KDM4E (0.39) KDM4EALDH1A1TSHRGABRA1GABRG2
SCHEMBL16961554 0.77 KDM4E (0.36) KDM4EALDH1A1ARLDHALDHB
SCHEMBL16961557 0.77 ALDH1A1 (0.39) KDM4EALDH1A1ARTSHRGABRA1
SCHEMBL16952386 0.77 ALDH1A1 (0.36) KDM4EALDH1A1LDHALDHBTSHR
SCHEMBL28252845 0.76 KDM4E (0.41) KDM4EALDH1A1ARTSHRDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358716-B1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME (US) 2016-01-06 EP disclosed
US-8815875-B2 Inhibitors of fatty acid binding protein (FABP) MERCK SHARP & DOHME CORP. (US) 2014-08-26 US disclosed
US-8815875-B2 Inhibitors of fatty acid binding protein (FABP) MERCK SHARP & DOHME CORP. (US) 2014-08-26 US disclosed
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME LLC 2011-09-29 US disclosed
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME LLC 2011-09-29 US disclosed
WO-2010056631-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) SCHERING CORPORATION (US) 2010-05-20 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-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) FABP4, FABP1, FABP3 KDM4E 3104/4885ALDH1A1 781/4885CHRNB2 4796/4885

“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.