SCHEMBL1133154

SCHEMBL1133154

Cc1ccccc1-c1cccc(N(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.54
FYN P06241 2/20 0.47
ALDH1A1 P00352 4/20 0.45
TSHR P16473 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
HTR1A P08908 1/20 0.44
NOTUM Q6P988 2/20 0.44
TRPA1 O75762 1/20 0.42
CTSD P07339 1/20 0.42
BACE1 P56817 1/20 0.42
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL21420016 0.86 ALDH1A1 (0.48) FYNALDH1A1TSHRNOTUMBRD4
SCHEMBL19577765 0.81 HTR7 (0.60) HTR7ALDH1A1TSHRHTR1ATRPA1
SCHEMBL29628983 0.81 HTR7 (0.60) HTR7ALDH1A1TSHRHTR1ATRPA1
SCHEMBL3787771 0.79 ALDH1A1 (0.52) FYNALDH1A1TSHRNOTUMBRD4
SCHEMBL26128565 0.79 ALDH1A1 (0.52) FYNALDH1A1TSHRMAPK1NOTUM
SCHEMBL10304931 0.79 ALDH1A1 (0.48) FYNALDH1A1TSHRNOTUMBACE1
SCHEMBL30602821 0.79 ALDH1A1 (0.58) FYNALDH1A1TSHRNOTUMHSD17B10
SCHEMBL13426912 0.78 CA12 (0.48) HTR7ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL19393444 0.78 MCL1 (0.45) HTR7ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL1252082 0.77 ALDH1A1 (0.52) FYNALDH1A1TSHRNOTUMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1306131-B1 Cross-coupling process using a catalyst comprising a cyclic nitrogen ligand SUMITOMO CHEMICAL CO (JP) 2016-12-07 EP disclosed
EP-2287141-B1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-10-21 EP disclosed
US-8237002-B2 Method for producing unsaturated organic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20110046380-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-24 US disclosed
EP-2287141-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-02-23 EP disclosed
US-20060111593-A1 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2006-05-25 US disclosed
US-7041856-B2 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-05-09 US disclosed
US-20030162950-A1 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-28 US disclosed
EP-1306131-A2 Cross-Coupling catalyst comprising a cyclic nitrogen ligand and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-02 EP 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-20030162950-A1 Coupling catalyst and process using the same NOD1, PYM1, C9 HTR7 3064/4885FYN 1365/4885ALDH1A1 3293/4885
US-20060111593-A1 Coupling catalyst and process using the same RPL22, C9, RBM22 HTR7 2097/4885FYN 1739/4885ALDH1A1 3723/4885
US-20110046380-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND NIT2, NOS1, CHRM1 HTR7 2899/4885FYN 3687/4885ALDH1A1 948/4885

“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.