SCHEMBL2173531

SCHEMBL2173531

CN(C)c1cccc2ccccc12.[LiH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.61
MCL1 Q07820 1/20 0.57
KDM4E B2RXH2 2/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56
CHEK1 O14757 1/20 0.54
NEK2 P51955 1/20 0.54
LIMK1 P53667 1/20 0.54
DYRK1A Q13627 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
EP300 Q09472 1/20 0.47
KAT2B Q92831 1/20 0.47
KAT8 Q9H7Z6 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP2A6 P11509 2/20 0.46
CA2 P00918 1/20 0.46
CNR2 P34972 1/20 0.44

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
SCHEMBL2349 0.98 SIGMAR1 (0.63) SIGMAR1MCL1KDM4EGAAMAPT
SCHEMBL27737084 0.98 SIGMAR1 (0.63) SIGMAR1MCL1KDM4EGAAMAPT
SCHEMBL29364795 0.98 SIGMAR1 (0.63) SIGMAR1MCL1KDM4EGAAMAPT
SCHEMBL29555314 0.98 SIGMAR1 (0.63) SIGMAR1MCL1KDM4EGAAMAPT
Hydrochloric Acid SCHEMBL28099546 0.95 SIGMAR1 (0.61) SIGMAR1MCL1KDM4EGAAMAPT
Hydrogen Sulfide SCHEMBL3359211 0.95 SIGMAR1 (0.61) SIGMAR1MCL1KDM4EGAAMAPT
Hydrochloric Acid SCHEMBL2866027 0.95 SIGMAR1 (0.61) SIGMAR1MCL1KDM4EGAAMAPT
SCHEMBL2174491 0.95 SIGMAR1 (0.61) SIGMAR1MCL1KDM4EGAAMAPT
Hydrochloric Acid SCHEMBL31515359 0.95 SIGMAR1 (0.61) SIGMAR1MCL1KDM4EGAAMAPT
Nitrogen SCHEMBL27346241 0.93 SIGMAR1 (0.59) SIGMAR1MCL1KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4426535-A Method of synthesizing brevicomin and using same in beetle control UNIVERSITY OF PITTSBURGH (US) 1984-01-17 US claimed
JP-11255779-A None JP disclosed
EP-3275855-B1 METHODS FOR PRODUCING 2,6-DIMETHYL-1,5-HEPTADIEN-3-OL AND 2,6-DIMETHYL-1,5-HEPTADIEN-3-YL ACETATE SHINETSU CHEMICAL CO (JP) 2021-03-17 EP disclosed
US-10138189-B2 Methods for producing 2,6-dimethyl-1,5-heptadien-3-ol and 2,6-dimethyl-1,5-heptadien-3-yl acetate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-11-27 US disclosed
CN-107663145-A Method for producing the alcohol of 2,6 dimethyl, 1,5 heptadiene 3 and its acetic acid esters 信越化学工业株式会社 2018-02-06 CN disclosed
US-20180029964-A1 METHODS FOR PRODUCING 2,6-DIMETHYL-1,5-HEPTADIEN-3-OL AND 2,6-DIMETHYL-1,5-HEPTADIEN-3-YL ACETATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-02-01 US disclosed
EP-3275855-A1 METHODS FOR PRODUCING 2,6-DIMETHYL-1,5-HEPTADIEN-3-OL AND 2,6-DIMETHYL-1,5-HEPTADIEN-3-YL ACETATE Shin-Etsu Chemical Co., Ltd. (JP) 2018-01-31 EP disclosed
EP-1700860-B1 POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIALS, INTERMEDIATE THEREFOR, PROCESS FOR PRODUCING POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIALS, AND PROCESS FOR PRODUCING INTERMEDIATE FOR POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIALS JAPAN SCIENCE & TECH AGENCY (JP) 2011-07-27 EP disclosed
US-7973190-B2 Polycyclic fused ring type π-conjugated organic material, intermediate therefor, process for producing polycyclic fused ring type π-conjugated organic material, and process for producing intermediate of polycyclic fused ring type π-conjugated organic material JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-07-05 US disclosed
US-7705174-B2 Condensed polycyclic π-conjugated organic material, intermediate product therefor, and method of manufacturing condensed polycyclic π-conjugated organic material JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-27 US disclosed
EP-0268400-B1 STEROIDAL 17ALPHA-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGESTERONES THE UPJOHN COMPANY (US) 1992-04-29 EP disclosed
US-4977255-A Steroidal 17α-silyl ethers and process to corticoids and progesterones THE UPJOHN COMPANY (US) 1990-12-11 US disclosed
US-4921638-A 17β-cyano-9α,17α-dihydroxyandrost-4-en-3-one THE UPJOHN COMPANY (US) 1990-05-01 US disclosed
EP-0334875-A1 STEROIDAL 17$g(a)-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGGESTERONES THE UPJOHN COMPANY (US) 1989-10-04 EP disclosed
EP-0169300-B1 PROCESS FOR PREPARATION OF ALPHA-ALKYL AMINO ACIDS MERCK & CO. INC. (US) 1988-05-25 EP disclosed
EP-0268400-A1 Steroidal 17alpha-silyl ethers and process to corticoids and progesterones THE UPJOHN COMPANY (US) 1988-05-25 EP disclosed
WO-1988003534-A1 STEROIDAL 17alpha-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGGESTERONES THE UPJOHN COMPANY (US) 1988-05-19 WO disclosed
US-4695584-A Method of synthesizing brevicomin and using same in beetle control UNIVERSITY OF PITTSBURGH (US) 1987-09-22 US disclosed
US-4508921-A Process for preparation of alpha-alkyl amino acids MERCK & CO., INC. (US) 1985-04-02 US disclosed
US-4426535-A Method of synthesizing brevicomin and using same in beetle control UNIVERSITY OF PITTSBURGH (US) 1984-01-17 US 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-20180029964-A1 METHODS FOR PRODUCING 2,6-DIMETHYL-1,5-HEPTADIEN-3-OL AND 2,6-DIMETHYL-1,5-HEPTADIEN-3-YL ACETATE MSMO1, CYP8B1, ACMSD SIGMAR1 848/4885MCL1 3438/4885KDM4E 153/4885
US-10138189-B2 Methods for producing 2,6-dimethyl-1,5-heptadien-3-ol and 2,6-dimethyl-1,5-heptadien-3-yl acetate MSMO1, CYP8B1, ACMSD SIGMAR1 848/4885MCL1 3438/4885KDM4E 153/4885

“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.