SCHEMBL2736379

SCHEMBL2736379

CC(C)c1ccc(Oc2ccccc2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.49
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PNLIP P16233 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
P2RX3 P56373 1/20 0.41
TTR P02766 1/20 0.41
CASP1 P29466 1/20 0.40
DPP4 P27487 1/20 0.40
RHEB Q15382 1/20 0.40
PARG Q86W56 1/20 0.39
STK39 Q9UEW8 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38

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
SCHEMBL23922346 0.86 FFAR1 (0.56) FFAR1CYP1A2CYP2C9CYP2C19PNLIP
SCHEMBL13026533 0.84 FFAR1 (0.43) FFAR1TTRHTR2CHTR2B
SCHEMBL11584107 0.81 PTGS1 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19TTR
SCHEMBL21620367 0.81 FFAR1 (0.65) FFAR1CYP1A2CYP2C9CYP2C19MRGPRX4
SCHEMBL2736378 0.81 NTRK1 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19TTR
SCHEMBL2170612 0.81 FFAR1 (0.51) FFAR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5018840 0.80 XIAP (0.54) FFAR1CASP1DPP4
SCHEMBL22225305 0.79 STK39 (0.47) FFAR1MRGPRX4STK39
SCHEMBL19237515 0.79 ALDH1A1 (0.45) FFAR1MRGPRX4TTRCASP1
SCHEMBL14470905 0.79 HTR2A (0.42) FFAR1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2024-01-18 US disclosed
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2024-01-18 US disclosed
EP-3666769-A1 NOVEL CASPASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-06-17 EP disclosed
US-9624239-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-04-18 US disclosed
US-9624239-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-04-18 US disclosed
US-20140045833-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2014-02-13 US disclosed
US-8088766-B2 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA INC. (US) 2012-01-03 US disclosed
US-20090012290-A1 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ARRAY BIOPHARMA, INC. (US) 2009-01-08 US 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 (3 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-20090012290-A1 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ERBB2, GRB2, EGFR FFAR1 2987/4885CYP1A2 2677/4885CYP3A4 3604/4885
US-20140045833-A1 Protein Kinase Inhibitors LCK, BTK, TEC FFAR1 3790/4885CYP1A2 4490/4885CYP3A4 4283/4885
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF BTK, SYK, LCK FFAR1 2419/4885CYP1A2 2946/4885CYP3A4 1920/4885

“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.