SCHEMBL1470968

SCHEMBL1470968

CC(C)(C)P(Cc1ccc(CP(C(C)(C)C)C(C)(C)C)cc1)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.33
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
HRH1 P35367 1/20 0.31
HTR2B P41595 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ESR2 Q92731 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
SCHEMBL3689005 0.90 IDO1 (0.42)
SCHEMBL31019832 0.88 HRH3 (0.44)
SCHEMBL2011093 0.88 TSHR (0.42)
SCHEMBL706086 0.87 TAAR1 (0.44) SLC6A2
SCHEMBL2011622 0.84 NR1H2 (0.35)
SCHEMBL12885589 0.84 RAB9A (0.39)
SCHEMBL702989 0.82 ALDH1A1 (0.44) CHRNA4
SCHEMBL3823271 0.81 NR1H2 (0.42)
SCHEMBL1465904 0.79 BCHE (0.37) SLC6A2
SCHEMBL2011758 0.78 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2750799-B1 PROCESS FOR THE ALKOXYCARBONYLATION OF FUNCTIONALIZED ALKENES DSM IP ASSETS BV (NL) 2016-01-06 EP claimed
US-9056829-B2 Process for the alkoxycarbonylation of functionalized alkenes DSM IP ASSETS B.V. (NL) 2015-06-16 US claimed
US-8853434-B2 Process for the isomerisation of substituted alkenes DSM IP ASSETS B.V. (NL) 2014-10-07 US claimed
US-20140206898-A1 PROCESS FOR THE ISOMERISATION OF SUBSTITUTED ALKENES DSM IP ASSETS B.V. (NL) 2014-07-24 US claimed
US-20140206893-A1 PROCESS FOR THE ALKOXYCARBONYLATION OF FUNCTIONALIZED ALKENES DSM IP ASSETS B.V. (NL) 2014-07-24 US claimed
EP-2750799-A1 PROCESS FOR THE ALKOXYCARBONYLATION OF FUNCTIONALIZED ALKENES DSM IP Assets B.V. (NL) 2014-07-09 EP claimed
EP-2734498-A1 PROCESS FOR THE ISOMERISATION OF SUBSTITUTED ALKENES DSM IP Assets B.V. (NL) 2014-05-28 EP claimed
WO-2013030344-A1 PROCESS FOR THE ALKOXYCARBONYLATION OF FUNCTIONALIZED ALKENES DSM IP ASSETS B.V. (NL) 2013-03-07 WO claimed
WO-2013013990-A1 PROCESS FOR THE ISOMERISATION OF SUBSTITUTED ALKENES DSM IP ASSETS B.V. (NL) 2013-01-31 WO claimed
EP-1527038-B1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUDS LUCITE INT UK LTD (GB) 2010-03-17 EP claimed
EP-2750799-B1 PROCESS FOR THE ALKOXYCARBONYLATION OF FUNCTIONALIZED ALKENES DSM IP ASSETS BV (NL) 2016-01-06 EP disclosed
US-9056829-B2 Process for the alkoxycarbonylation of functionalized alkenes DSM IP ASSETS B.V. (NL) 2015-06-16 US disclosed
US-8853434-B2 Process for the isomerisation of substituted alkenes DSM IP ASSETS B.V. (NL) 2014-10-07 US disclosed
US-20140206893-A1 PROCESS FOR THE ALKOXYCARBONYLATION OF FUNCTIONALIZED ALKENES DSM IP ASSETS B.V. (NL) 2014-07-24 US disclosed
US-20140206898-A1 PROCESS FOR THE ISOMERISATION OF SUBSTITUTED ALKENES DSM IP ASSETS B.V. (NL) 2014-07-24 US disclosed
US-7485739-B2 Catalyst system LUCITE INTERNATIONAL UK LTD. (GB) 2009-02-03 US disclosed
US-20060252935-A1 Catalyst system LUCITE INTERNATIONAL UK LIMITED (GB) 2006-11-09 US disclosed
US-6376715-B1 FROM AN ORGANOMETALLIC COMPOUND INEOS ACRYLICS U.K. LIMITED (GB) 2002-04-23 US disclosed
US-6348621-B1 REACTING ETHYLENE WITH CARBON MONOXIDE IN PRESENCE OF WATER OR ORGANIC HYDROXYL GROUPS AND CATALYST SYSTEM OBTAINED BY COMBINING METAL OF GROUP VIII OR COMPOUND THEREOF AND SPECIFIED BIDENTATE PHOSPHINE COMPOUND IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 2002-02-19 US disclosed
US-6335471-B1 REACTING DIHALOALKYL ARYL COMPOUND WITH METAL TO FORM GRIGNARD REAGENT, REACTING WITH DISUBSTITUTED PHOSPHINE HALIDE TO FORM DIPHOSPHINE COMPOUND USEFUL AS LIGAND FOR CARBONYLATION CATALYSTS INEOS ACRYLICS UK LIMITED (GB) 2002-01-01 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 (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-20060252935-A1 Catalyst system ELOB, SOD1, ESR1 ESR1 3/4885SLC6A2 4745/4885HTR2A 2694/4885

“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.