SCHEMBL58784

SCHEMBL58784

[CH2]C(C)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.58
TAAR1 Q96RJ0 5/20 0.58
SLC6A2 P23975 3/20 0.58
SLC6A4 P31645 2/20 0.58
SLC6A3 Q01959 2/20 0.58
MAOA P21397 1/20 0.58
CYP2A6 P11509 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA1 P30542 1/20 0.58
SLC18A2 Q05940 1/20 0.54
CYP2D6 P10635 1/20 0.54
TRPA1 O75762 2/20 0.52
EPHX1 P07099 1/20 0.50
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
HTR2A P28223 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRK1 P41145 1/20 0.48
KCNH2 Q12809 1/20 0.48
MAOB P27338 1/20 0.47

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
SCHEMBL7937676 0.81 SIGMAR1 (0.50) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL30934 0.78 TRPA1 (0.77) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Isobutylbenzene SCHEMBL57393 0.78 SIGMAR1 (0.64) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Isobutylbenzene SCHEMBL2571645 0.78 SIGMAR1 (0.64) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Isobutylbenzene SCHEMBL7493657 0.78 SIGMAR1 (0.64) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL3588912 0.78 EPHX1 (0.55) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL1287678 0.78 EPHX1 (0.55) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL4785594 0.78 SIGMAR1 (0.64) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL10918313 0.77 IDO1 (0.44) TAAR1SLC6A2SLC6A3CYP2A6
SCHEMBL11044932 0.76 GABRA1 (0.41) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3

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 1070 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107075124-B Alpha, omega-functionalized polyoxyalkylene-siloxane polymers and copolymers prepared therefrom 莫门蒂夫性能材料股份有限公司 2020-10-23 CN claimed
EP-3194472-B1 FUNCTIONALIZED POLYOXYALKYLENE-SILOXANE POLYMERS AND COPOLYMERS MADE THEREFROM MOMENTIVE PERFORMANCE MAT INC (US) 2018-07-11 EP claimed
CN-107075124-A Alpha, omega-functionalized polyoxyalkylene-siloxane polymers and copolymers prepared therefrom 莫门蒂夫性能材料股份有限公司 2017-08-18 CN claimed
EP-3194472-A1 FUNCTIONALIZED POLYOXYALKYLENE-SILOXANE POLYMERS AND COPOLYMERS MADE THEREFROM Momentive Performance Materials Inc. (US) 2017-07-26 EP claimed
US-9428617-B2 α,ω-functionalized polyoxyalkylene-siloxane polymers and copolymers made therefrom MOMENTIVE PERFORMANCE MATERIAL INC. (US) 2016-08-30 US claimed
WO-2016044696-A1 αω-FUNCTIONALIZED POLYOXYALKYLENE-SILOXANE POLYMERS AND COPOLYMERS MADE THEREFROM MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2016-03-24 WO claimed
US-20160083528-A1 alpha, omega- FUNCTIONALIZED POLYOXYALKYLENE-SILOXANE POLYMERS AND COPOLYMERS MADE THEREFROM MOMENTIVE PERFORMANCE MATERIALS INC. 2016-03-24 US claimed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO claimed
US-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-08-13 US claimed
US-7053104-B2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2006-05-30 US claimed
EP-1037878-A2 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-09-27 EP claimed
WO-1999026927-A2 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 1999-06-03 WO claimed
EP-0586418-A1 SUBSTITUTED TRIAZOLINONES BAYER AG (DE) 1994-03-16 EP claimed
US-5276008-A Herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1994-01-04 US claimed
WO-1992020663-A1 SUBSTITUTED TRIAZOLINONES BAYER AKTIENGESELLSCHAFT (DE) 1992-11-26 WO claimed
EP-0502307-A2 Substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones BAYER AG (DE) 1992-09-09 EP claimed
US-4391804-A Imidazole derivatives and fungicidal composition containing the same HOKKO CHEMICAL INDUSTRY COMPANY, LTD. (JP) 1983-07-05 US claimed
EP-0003211-B1 PROCESS TO CONTROL PESTS WITH IMIDAZOLE DERIVATIVES BASF Aktiengesellschaft (DE) 1981-11-25 EP claimed
US-4282238-A IMIDAZOLES BASF AKTIENGESELLSCHAFT (DE) 1981-08-04 US claimed
EP-0003211-A1 Process to control pests with imidazole derivatives BASF Aktiengesellschaft (DE) 1979-08-08 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF ITGB1, ITGA2, ITGB2 SIGMAR1 1083/4885TAAR1 4168/4885SLC6A2 4474/4885

“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.