SCHEMBL3452689

SCHEMBL3452689

C=C1CC1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CFTR P13569 1/20 0.42
GOPC Q9HD26 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 6/20 0.39
MAOB P27338 6/20 0.39
KDM1A O60341 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP2B6 P20813 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2A6 P11509 1/20 0.39

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
SCHEMBL5322391 0.77 DDB1 (0.47) SIGMAR1DDB1CRBN
SCHEMBL13422239 0.74 KDM1A (0.43) MAPTMAOBKDM1ALMNACYP2A6
SCHEMBL15541676 0.72 TSHR (0.47) TSHRCFTRGOPCKMT2ASIGMAR1
SCHEMBL15657030 0.72 KMT2A (0.52) TSHRCFTRGOPCKMT2AGAA
SCHEMBL14763230 0.72 SIGMAR1 (0.45) TSHRCFTRGOPCKMT2ASIGMAR1
SCHEMBL20459772 0.72 CYP3A4 (0.56) KMT2ASIGMAR1GAAMAPTCYP2D6
SCHEMBL7234344 0.71 AKR1C3 (0.47) TSHRCFTRGOPCKMT2AMAPT
SCHEMBL3142533 0.70 CYP19A1 (0.47) TSHRCFTRGOPCTAAR1
SCHEMBL6874305 0.70 MAPT (0.54) KMT2ASIGMAR1GAAMAPT
SCHEMBL4971631 0.69 DDB1 (0.49) TSHRCFTRGOPCKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539688-B1 NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP, WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINES CENTRE NAT RECH SCIENT (FR) 2016-08-10 EP disclosed
US-7820831-B2 Compounds comprising a thiocarbonyl-sulfanyl group which can be used for the radical synthesis of α-perfluoroalkylamine compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-10-26 US disclosed
CN-100512582-C Light emitting system, light emitting method and chemical substance for light emission HITACHI CHEMICAL CO LTD (JP) 2009-07-08 CN disclosed
US-20090163743-A1 LUMINESCENCE SYSTEM, METHOD OF LUMINESCENCE, AND CHEMICAL SUBSTANCE FOR LUMINESCENCE HOSHI YOUSUKE 2009-06-25 US disclosed
US-20080306281-A1 NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINE COMPOUNDS RHODIA OPERATIONS (FR) 2008-12-11 US disclosed
US-7423161-B2 Compounds comprising a thiocarbonyl-sulfanyl group, which can be used for the radical synthesis of-α-perfluoroalkylamines RHODIA CHIMIE (FR) 2008-09-09 US disclosed
US-20070138945-A1 Luminescence system, method of luminescence, and chemical substance for luminescence HITACHI CHIEMICAL CO., LTD., (JP) 2007-06-21 US disclosed
CN-1898995-A Light emitting system, light emitting method and chemical substance for light emission HITACHI CHEMICAL CO LTD (JP) 2007-01-17 CN disclosed
US-20060122404-A1 Novel compounds comprising a thiocarbonyl-sulfanyl group, which can be used for the radical synthesis of-alpha-perfluoroalkylamines RHODIA CHIMIE (FR) 2006-06-08 US disclosed
EP-1539688-A2 NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP, WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINES Rhodia Chimie (FR) 2005-06-15 EP disclosed
WO-2004024681-A2 NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP, WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINES RHODIA CHIMIE (FR) 2004-03-25 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-20060122404-A1 Novel compounds comprising a thiocarbonyl-sulfanyl group, which can be used for the radical synthesis of-alpha-perfluoroalkylamines PFAS, CYP2F1, SULT1A1 TSHR 746/4885CFTR 1605/4885GOPC 1217/4885
US-20070138945-A1 Luminescence system, method of luminescence, and chemical substance for luminescence GLO1, TYR, GUSB TSHR 1614/4885CFTR 2629/4885GOPC 1337/4885
US-20080306281-A1 NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINE COMPOUNDS PFAS, SULT1A1, CYP2F1 TSHR 585/4885CFTR 1487/4885GOPC 1321/4885
US-20090163743-A1 LUMINESCENCE SYSTEM, METHOD OF LUMINESCENCE, AND CHEMICAL SUBSTANCE FOR LUMINESCENCE GLO1, TYR, GUSB TSHR 1614/4885CFTR 2629/4885GOPC 1337/4885

“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.