SCHEMBL874427

SCHEMBL874427

Cc1ccc2c(C)cc(C)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
CYP1A2 P05177 5/20 0.61
LMNA P02545 2/20 0.50
ACHE P22303 4/20 0.45
SLC2A1 P11166 1/20 0.44
BCHE P06276 3/20 0.44
GRIN1 Q05586 3/20 0.44
GRIN2A Q12879 3/20 0.44
NQO2 P16083 1/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NR4A2 P43354 1/20 0.43
GRM2 Q14416 1/20 0.42

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
SCHEMBL31186680 0.83 POLB (0.55) POLBCYP1A2LMNAACHEKDM4E
SCHEMBL1562526 0.83 POLB (0.55) POLBCYP1A2LMNAACHEKDM4E
SCHEMBL3531515 0.83 LMNA (0.66) POLBCYP1A2LMNAACHEBCHE
SCHEMBL25544348 0.79 CYP1A2 (0.50) POLBCYP1A2LMNAACHESLC2A1
SCHEMBL3969703 0.79 CYP1A2 (0.50) POLBCYP1A2LMNAACHESLC2A1
SCHEMBL6593684 0.79 CYP1A2 (0.50) POLBCYP1A2LMNAACHESLC2A1
SCHEMBL17657692 0.79 POLB (0.61) POLBCYP1A2ACHENQO2KDM4E
SCHEMBL6639402 0.79 POLB (0.61) POLBCYP1A2LMNAACHENQO2
SCHEMBL3420261 0.79 POLB (0.52) POLBCYP1A2LMNAACHEBCHE
SCHEMBL14960133 0.79 POLB (0.61) POLBCYP1A2ACHEKDM4EALDH1A1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796800-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2017-10-24 US claimed
US-20160108153-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2016-04-21 US claimed
CN-103154044-B Process for producing polydienes BRIDGESTONE CO.,LTD. (JP) 2016-02-17 CN claimed
US-9249244-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2016-02-02 US claimed
EP-2619233-A1 PROCESS FOR PRODUCING POLYDIENES Bridgestone Corporation (JP) 2013-07-31 EP claimed
CN-103154044-A Process for producing polydienes BRIDGESTONE CORP 2013-06-12 CN claimed
WO-2012040026-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2012-03-29 WO claimed
US-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2023-07-04 US disclosed
CN-105646754-B Method for producing polydiene 株式会社普利司通 2018-08-07 CN disclosed
CN-108129590-A Use the conjugated diene bulk polymerization of the antigravity system based on nickel 株式会社普利司通 2018-06-08 CN disclosed
WO-2018053126-A1 INHIBITION OF BMP SIGNALING, COMPOUNDS, COMPOSITIONS AND USES THEREOF VANDERBILT UNIVERSITY (US) 2018-03-22 WO disclosed
US-9796800-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2017-10-24 US disclosed
US-9640769-B2 Organic electric field light emitting element and production therefor MITSUBISHI CHEMICAL CORPORATION (JP) 2017-05-02 US disclosed
US-20110215312-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 2011-09-08 US disclosed
US-7777043-B2 Compound, charge transporting material and organic electroluminescent element MITSUBISHI CHEMICAL CORPORATION (JP) 2010-08-17 US disclosed
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-20090066223-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 2009-03-12 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 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 (2 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-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes KCNQ2, KCNQ1, KCNQ4 POLB 1389/4885CYP1A2 1154/4885LMNA 2539/4885
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 POLB 1914/4885CYP1A2 1247/4885LMNA 435/4885

“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.