SCHEMBL827314

SCHEMBL827314

CC(C)Oc1ccc2ccsc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.44
PARP15 Q460N3 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.38
BRPF1 P55201 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
ICAM1 P05362 2/20 0.36
SELE P16581 2/20 0.36
VCAM1 P19320 1/20 0.36
ALDH1A3 P47895 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 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
SCHEMBL3793234 0.85 CA2 (0.46) PARP10PARP15TNKS2PARP2MRGPRX4
SCHEMBL3789636 0.83 MRGPRX4 (0.42) PARP10PARP15TNKS2PARP2MRGPRX4
SCHEMBL15495650 0.79 CA2 (0.52) MRGPRX4ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL31053115 0.79 CYP1A2 (0.48) MRGPRX4ALDH1A1KMT2AKDM4ECA12
SCHEMBL155194 0.79 CYP1A2 (0.48) MRGPRX4ALDH1A1KMT2AKDM4ECA12
SCHEMBL14931342 0.77 MRGPRX4 (0.37) MRGPRX4CA12CA2
SCHEMBL29629324 0.77 ALDH1A1 (0.54) PARP10ALDH1A1KMT2ABRD4BRPF1
SCHEMBL22325682 0.77 ALDH1A1 (0.54) PARP10ALDH1A1KMT2ABRD4BRPF1
SCHEMBL4499545 0.75 CA2 (0.56) MRGPRX4CA2
SCHEMBL31621489 0.75 MRGPRX4 (0.47) MRGPRX4ALDH1A1KMT2AHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (CH) 2017-12-28 US disclosed
US-8507680-B2 Production process of a heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2013-08-13 US disclosed
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2012-06-07 US disclosed
US-8143407-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2012-03-27 US disclosed
EP-1481978-B1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO (JP) 2011-09-14 EP disclosed
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2010-01-14 US disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-7612218-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2009-11-03 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 EP disclosed
EP-1244655-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-02-18 EP disclosed
US-6620837-B1 1-Benzothiophene derivatives ELI LILLY AND COMPANY 2003-09-16 US disclosed
EP-1244655-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2002-10-02 EP disclosed
WO-2001036414-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2001-05-25 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 (4 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-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, IPO5, HLCS PARP10 230/4885PARP15 40/4885TNKS2 1933/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS PARP10 137/4885PARP15 25/4885TNKS2 1397/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS PARP10 230/4885PARP15 40/4885TNKS2 1933/4885
US-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA6, CHRNA5 PARP10 2961/4885PARP15 2946/4885TNKS2 3352/4885

“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.