SCHEMBL896127

SCHEMBL896127

Cc1cc(C)c(SS)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 4/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
ACHE P22303 1/20 0.32
TSHR P16473 1/20 0.32
AR P10275 2/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30

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
Propene SCHEMBL11695388 0.88 RAPGEF4 (0.32) RAPGEF4MEN1KMT2ATP53TDP1
SCHEMBL6353240 0.78 CYP3A4 (0.46) MEN1KMT2AALDH1A1GAAACHE
SCHEMBL12705758 0.76 POLB (0.46) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL9935610 0.75 RAPGEF4 (0.43) RAPGEF4MEN1KMT2AALDH1A1KDM4E
Dimesityl Disulfide SCHEMBL896126 0.75 RAPGEF4 (0.43) RAPGEF4MEN1KMT2AALDH1A1KDM4E
SCHEMBL758797 0.73 RAPGEF4 (0.41) RAPGEF4MEN1KMT2AALDH1A1KDM4E
SCHEMBL24915470 0.71 RAPGEF4 (0.39) RAPGEF4MEN1KMT2AALDH1A1KDM4E
SCHEMBL21415458 0.71 RAPGEF4 (0.39) RAPGEF4MEN1KMT2AALDH1A1KDM4E
SCHEMBL22368224 0.71 RAPGEF4 (0.39) RAPGEF4MEN1KMT2AALDH1A1KDM4E
SCHEMBL15268372 0.71 RAPGEF4 (0.39) RAPGEF4MEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083627-A1 Method of Synthesis of Arylsulfur Trifluorides and Use as in situ Deoxofluorination Reagent FLUOROTECH, LLC (US) 2012-04-05 US claimed
US-20070270542-A1 Crosslinkable Polymer Systems REICHHOLD, INC. 2007-11-22 US disclosed
WO-2006083338-A1 FUNCTIONALIZED THERMOSETTING RESIN SYSTEMS REICHHOLD, INC. (US) 2006-08-10 WO disclosed
US-20060173142-A1 Functionalized thermosetting resin systems REICHHOLD, INC. 2006-08-03 US disclosed
WO-2006041553-A1 CROSSLINKABLE POLYMER SYSTEMS REICHHOLD, INC. (US) 2006-04-20 WO disclosed
US-20060079624-A1 Crosslinkable polymer systems REICHHOLD, INC. 2006-04-13 US disclosed
US-6900307-B1 2-aminopurine derivatives HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2005-05-31 US disclosed
EP-1363959-A1 MAKING POLYOLEFIN GRAFT COPOLYMERS WITH LOW MOLECULAR WEIGHT SIDE CHAINS USING A POLYMERIC PEROXIDE AS AN INITIATOR Basell Poliolefine Italia S.p.A. (IT) 2003-11-26 EP disclosed
EP-1330478-A1 IRRADIATION PROCESS FOR MAKING OLEFIN GRAFT COPOLYMERS WITH LOW MOLECULAR WEIGHT SIDE CHAINS Basell Poliolefine Italia S.p.A. (IT) 2003-07-30 EP disclosed
US-6518327-B1 Graft copolymers were made from a propylene homopolymer to which was graft polymerized polystyrene or poly(methyl methacylate) in the prsence of a hydroxylamine polymerization inhibitor BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2003-02-11 US disclosed
EP-1236736-A1 2-AMINOPURINE DERIVATIVES HISAMITSU PHARMACEUTICAL CO. INC. (JP) 2002-09-04 EP disclosed
US-6444722-B1 PROCESS CONTROL BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2002-09-03 US disclosed
WO-2002036650-A1 IRRADIATION PROCESS FOR MAKING OLEFIN GRAFT COPOLYMERS WITH LOW MOLECULAR WEIGHT SIDE CHAINS BASELL TECHNOLOGY COMPANY B.V. (US) 2002-05-10 WO disclosed
WO-2002036649-A1 MAKING POLYOLEFIN GRAFT COPOLYMERS WITH LOW MOLECULAR WEIGHT SIDE CHAINS USING A POLYMERIC PEROXIDE AS AN INITIATOR BASELL TECHNOLOGY COMPANY B.V. (US) 2002-05-10 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 (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-20120083627-A1 Method of Synthesis of Arylsulfur Trifluorides and Use as in situ Deoxofluorination Reagent AFF2, BRD2, AFF4 RAPGEF4 3158/4885MEN1 4486/4885KMT2A 3682/4885

“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.