SCHEMBL3149291

SCHEMBL3149291

[Li]c1scc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
CYP2A6 P11509 6/20 0.42
HSD17B10 Q99714 5/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPRT1 P00492 1/20 0.36
CYP1A2 P05177 6/20 0.33
HPGD P15428 3/20 0.33
ALOX12 P18054 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
THRB P10828 1/20 0.33
CYP3A4 P08684 1/20 0.32
KEAP1 Q14145 1/20 0.32
CNR2 P34972 1/20 0.32
CCR4 P51679 1/20 0.31
GPR3 P46089 1/20 0.31

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
SCHEMBL13261664 0.74 ALDH1A1 (0.43) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL2008188 0.72 CYP2A6 (0.41) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL1097973 0.72 CYP2A6 (0.41) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL1536197 0.70 CYP2A6 (0.39) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL21177767 0.70 CYP2A6 (0.39) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL1097974 0.70 CYP2A6 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL4895243 0.70 ALDH1A1 (0.39) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL2008190 0.70 ALDH1A1 (0.42) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL276255 0.70 CYP1A2 (0.42) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL276253 0.70 ALDH1A1 (0.39) ALDH1A1CYP2A6HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104395326-B Process for producing borinic acid derivative and novel borinic acid derivative 玛耐科股份有限公司 2017-04-05 CN disclosed
US-9163046-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-20 US disclosed
EP-2886548-A1 METHOD FOR PRODUCING BORINIC ACID DERIVATIVE, AND NOVEL BORINIC ACID DERIVATIVE Manac Inc. (JP) 2015-06-24 EP disclosed
US-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES MANAC INC. (JP) 2015-04-16 US disclosed
CN-104395326-A Process for producing borinic acid derivative and novel borinic acid derivative MANAC INC 2015-03-04 CN disclosed
US-20100113717-A1 Process For Producing Substituted Metallocene Compounds For Olefin Polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2010-05-06 US disclosed
US-7709670-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-05-04 US disclosed
EP-1866322-B1 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2010-02-24 EP disclosed
EP-1866322-A2 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-12-19 EP disclosed
US-20060160968-A1 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-07-20 US disclosed
WO-2006065844-A2 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed
US-5112852-A Hypotensive agents formed by reaction of metal organo conpound with a silylamine MERRELL DOW PHARMACEUTICALS INC. (US) 1992-05-12 US disclosed
US-4847288-A HYPOTENSIVE AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1989-07-11 US disclosed
EP-0279063-A1 Allenyl amines MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-24 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-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES ADORA2B, TPSAB1, ACVR2B ALDH1A1 287/4885CYP2A6 199/4885HSD17B10 879/4885
US-20100113717-A1 Process For Producing Substituted Metallocene Compounds For Olefin Polymerization OSBP, OSBPL3, OSBP2 ALDH1A1 2387/4885CYP2A6 518/4885HSD17B10 1142/4885
US-20060160968-A1 Process for producing substituted metallocene compounds for olefin polymerization OSBP, OSBPL3, OSBP2 ALDH1A1 2387/4885CYP2A6 518/4885HSD17B10 1142/4885

“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.