SCHEMBL12290448

SCHEMBL12290448

Oc1cccc(Cl)c1C1CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.46
OPRL1 P41146 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
NQO2 P16083 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ACHE P22303 3/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TTR P02766 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
SCHEMBL12290553 0.92 TSHR (0.45) TSHRALDH1A1OPRL1SMN1; SMN2CHRNB2
SCHEMBL11751246 0.92 TSHR (0.45) TSHRALDH1A1OPRL1SMN1; SMN2CHRNB2
SCHEMBL15994822 0.90 TSHR (0.43) TSHRALDH1A1OPRL1SMN1; SMN2CHRNB2
SCHEMBL23215227 0.87 QDPR (0.43) TSHRALDH1A1CHRNB2CHRNA4
SCHEMBL29768397 0.87 QDPR (0.43) TSHRALDH1A1CHRNB2CHRNA4
SCHEMBL10387633 0.84 OPRL1 (0.49) TSHRALDH1A1OPRL1SMN1; SMN2LDHA
SCHEMBL6152672 0.76 CHRNB2 (0.58) ALDH1A1SMN1; SMN2CHRNB2CHRNA4KDM4E
SCHEMBL4965472 0.76 CHRNB2 (0.58) ALDH1A1SMN1; SMN2CHRNB2CHRNA4KDM4E
SCHEMBL3785910 0.76 SMN1; SMN2 (0.41) ALDH1A1OPRL1SMN1; SMN2ACHE
SCHEMBL12290554 0.75 SMN1; SMN2 (0.48) TSHRALDH1A1OPRL1SMN1; SMN2LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026077-A PHENOXYMETHYL DERIVATIVES 豪夫迈·罗氏有限公司 2018-05-11 CN disclosed
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 TSHR 2940/4885ALDH1A1 781/4885OPRL1 799/4885

“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.