SCHEMBL2118927

SCHEMBL2118927

C[CH]C#CCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.43
PTPN7 P35236 5/20 0.43
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4224618 1.00 HMGCR (0.43) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL4223273 1.00 HMGCR (0.43) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL5166824 1.00 HMGCR (0.43) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL5167000 1.00 HMGCR (0.43) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL4212910 1.00 HMGCR (0.43) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL2120726 0.97
SCHEMBL2122507 0.90
SCHEMBL4169864 0.82 HMGCR (0.45) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL4429121 0.82 HMGCR (0.45) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL11071498 0.81 HMGCR (0.53) HMGCRPTPN7TSHRTHRBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044966-B1 (Poly)thia-alkyne compounds and their derivatives, compositions containing them and their use OREAL (FR) 2004-09-22 EP claimed
CN-113490670-A Nitrogen-containing polycyclic fused ring compound, and pharmaceutical composition, preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2021-10-08 CN disclosed
US-9951075-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2018-04-24 US disclosed
US-20170275288-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF JANSSEN SCIENCES IRELAND UC (IE) 2017-09-28 US disclosed
US-9708328-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2017-07-18 US disclosed
US-20160159803-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof Janssen Sciences Ireland Unlimited Company (IE) 2016-06-09 US disclosed
US-20160158238-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof Janssen Sciencies Ireland UC (IE) 2016-06-09 US disclosed
US-9290502-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2016-03-22 US disclosed
US-20150045409-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-12 US disclosed
EP-2813493-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company Limited (JP) 2014-12-17 EP disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP disclosed
US-6511670-B1 Compounds with shorter alkyl chains such as 3,8-dithia-5-docosynoic acid; treating acne and inflammation disorders; peroxisome proliferator activated receptor activators SOCIETE L'OREAL S.A. (FR) 2003-01-28 US disclosed
EP-0389162-B1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES (JP) 1993-12-08 EP disclosed
EP-0274064-B1 2,5,6,7-TETRANOR-18,18,19,19-TETRADEHYDRO-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1992-03-18 EP disclosed
US-5086071-A Improved chemical stability and ppotent in vivo TORAY INDUSTRIES, INC. (JP) 1992-02-04 US disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 EP disclosed
EP-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 EP disclosed
US-4880939-A ANTISECRETORY AGENTS, HYPOTENSIVES, ANTICOAGULANTS TORAY INDUSTRIES (JP) 1989-11-14 US disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
EP-0274064-A2 2,5,6,7-Tetranor-18,18,19,19-tetradehydro-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1988-07-13 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 (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-20160159803-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof HCCS, HAVCR2, MAVS HMGCR 381/4885PTPN7 2709/4885TSHR 4762/4885
US-20150045409-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL ARG1, ACOT7, RPS8 HMGCR 1894/4885PTPN7 1587/4885TSHR 216/4885
US-20170275288-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF HCCS, HAVCR2, MAVS HMGCR 381/4885PTPN7 2709/4885TSHR 4762/4885
US-20160158238-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof HCCS, HAVCR2, MAVS HMGCR 381/4885PTPN7 2709/4885TSHR 4762/4885

“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.