SCHEMBL945686

SCHEMBL945686

CCCCOc1ccc(SSc2ccc(OCCCC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.55
NR5A1 Q13285 1/20 0.53
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
TSHR P16473 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALOX5 P09917 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL9445702 0.96 NR5A1 (0.60) LTA4HNR5A1TSHRGAARAB9A
SCHEMBL9445701 0.94 NR5A1 (0.63) LTA4HNR5A1TSHRGAARAB9A
SCHEMBL942884 0.91 LTA4H (0.53) LTA4HNR5A1CYP3A4CYP2D6CA12
SCHEMBL16195344 0.86 CYP3A4 (0.57) LTA4HNR5A1CYP3A4CYP2D6TSHR
SCHEMBL26850 0.85 LTA4H (0.70) LTA4HNR5A1CYP3A4CYP2D6TSHR
SCHEMBL10346022 0.84 LTA4H (0.53) LTA4HNR5A1CYP3A4CYP2D6TSHR
SCHEMBL8361631 0.84 LTA4H (0.53) LTA4HNR5A1CYP3A4CYP2D6TSHR
SCHEMBL945559 0.81 NQO1 (0.70) LTA4HTSHRCA12CA1CA2
SCHEMBL21143074 0.81 NR5A1 (0.63) LTA4HNR5A1CYP3A4CYP2D6TSHR
SCHEMBL21143075 0.81 NR5A1 (0.63) LTA4HNR5A1CYP3A4CYP2D6TSHR

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-8987516-B2 Process for producing arylsulfur pentafluorides UBE INDUSTRIES, LTD. (JP) 2015-03-24 US disclosed
EP-2468722-B1 Process for producing arylsulfur halotetrafluorides UBE INDUSTRIES (JP) 2014-10-01 EP disclosed
EP-2468721-B1 Process for producing arylsulfur pentafluorides UBE INDUSTRIES (JP) 2014-02-26 EP disclosed
EP-2468720-B1 Process for producing arylsulfur pentafluorides UBE INDUSTRIES (JP) 2013-11-27 EP disclosed
EP-2468719-B1 Process for producing arylsulfur pentafluorides UBE INDUSTRIES (JP) 2013-10-16 EP disclosed
EP-2137144-B1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES UBE INDUSTRIES (JP) 2013-07-31 EP disclosed
US-8399720-B2 Methods for producing fluorinated phenylsulfur pentafluorides UBE INDUSTRIES, LTD. (JP) 2013-03-19 US disclosed
EP-2468722-A1 Process for producing arylsulfur halotetrafluorides UBE Industries, Ltd. (JP) 2012-06-27 EP disclosed
EP-2468719-A1 Process for producing arylsulfur pentafluorides UBE Industries, Ltd. (JP) 2012-06-27 EP disclosed
EP-2468721-A1 Process for producing arylsulfur pentafluorides UBE Industries, Ltd. (JP) 2012-06-27 EP disclosed
US-20100130790-A1 Methods for Producing Fluorinated Phenylsulfur Pentafluorides IM&T RESEARCH, INC. (US) 2010-05-27 US disclosed
US-20100076215-A9 Process for Producing Arylsulfur Pentafluorides IM&T RESEARCH, INC. (US) 2010-03-25 US disclosed
US-20100029992-A1 Process for Producing Arylsulfur Pentafluorides IM&T RESEARCH, INC. (US) 2010-02-04 US disclosed
WO-2010014665-A1 METHODS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM&T RESEARCH, INC. (US) 2010-02-04 WO disclosed
EP-2137144-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM&T Research, Inc. (US) 2009-12-30 EP disclosed
US-20090287024-A1 Process for Producing Arylsulfur Pentafluorides IM&T RESEARCH, INC. (US) 2009-11-19 US disclosed
US-7592491-B2 Process for producing arylsulfur pentafluorides IM&T RESEARCH, INC. (US) 2009-09-22 US disclosed
WO-2008118787-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM & T RESEARCH, INC. (US) 2008-10-02 WO disclosed
US-20080234520-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM&T RESEARCH, INC. (US) 2008-09-25 US disclosed
US-5354484-A Improved high temperature stability THE LUBRIZOL CORPORATION (US) 1994-10-11 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 (5 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-20090287024-A1 Process for Producing Arylsulfur Pentafluorides PFAS, MPST, ARSA LTA4H 2872/4885NR5A1 3391/4885CYP3A4 424/4885
US-20100130790-A1 Methods for Producing Fluorinated Phenylsulfur Pentafluorides BRPF1, SFXN3, SLFN12 LTA4H 4228/4885NR5A1 3483/4885CYP3A4 2693/4885
US-20100076215-A9 Process for Producing Arylsulfur Pentafluorides PFAS, MPST, ARSA LTA4H 2872/4885NR5A1 3391/4885CYP3A4 424/4885
US-20080234520-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES PFAS, MPST, ARSA LTA4H 2872/4885NR5A1 3391/4885CYP3A4 424/4885
US-20100029992-A1 Process for Producing Arylsulfur Pentafluorides PFAS, MPST, ARSA LTA4H 2872/4885NR5A1 3391/4885CYP3A4 424/4885

“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.