SCHEMBL4075418

SCHEMBL4075418

CCCC[C](CCC)CCC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.47
CES2 O00748 6/20 0.47
ALDH1A1 P00352 4/20 0.43
TP53 P04637 1/20 0.43
CA1 P00915 1/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
AKR1B1 P15121 1/20 0.36
HSD17B10 Q99714 1/20 0.35
FFAR3 O14843 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL5961192 1.00 CES1 (0.47) CES1CES2ALDH1A1TP53CA1
SCHEMBL6267946 0.94 CES2 (0.48) CES1CES2ALDH1A1TSHRAKR1B1
SCHEMBL506061 0.93 CES1 (0.53) CES1CES2ALDH1A1TP53CA1
SCHEMBL6269498 0.91 CES2 (0.50) CES1CES2ALDH1A1TSHRTHRB
SCHEMBL4072851 0.90 CES2 (0.50) CES1CES2ALDH1A1TSHRTHRB
SCHEMBL28396912 0.89 CES1 (0.50) CES1CES2ALDH1A1TP53CA1
SCHEMBL1303135 0.87 CES2 (0.52) CES1CES2ALDH1A1TSHRTHRB
SCHEMBL6264091 0.87 CES2 (0.52) CES1CES2ALDH1A1TSHRTHRB
SCHEMBL9557108 0.87 CES2 (0.52) CES1CES2ALDH1A1TSHRTHRB
SCHEMBL6265534 0.87 CES2 (0.52) CES1CES2ALDH1A1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670237-B2 Phosphonium-based ionic liquids and their use in the capture of polluting gases UT-BATTELLE, LLC (US) 2017-06-06 US disclosed
US-9249257-B2 Copolymer, organic semiconductor material, organic electrical device, photovoltaic module MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-9212254-B2 2015-12-15 US disclosed
EP-2857429-A1 COPOLYMER, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC ELECTRICAL DEVICE, AND SOLAR CELL MODULE Mitsubishi Chemical Corporation (JP) 2015-04-08 EP disclosed
US-20150094436-A1 COPOLYMER, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC ELECTRICAL DEVICE, AND PHOTOVOLTAIC MODULE MITSUBISHI CHEMICAL CORPORATION (JP) 2015-04-02 US disclosed
EP-2508527-B1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND USES THEREOF SAMSUNG ELECTRONICS CO LTD (KR) 2015-01-07 EP disclosed
EP-2084171-B1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE SHOWA DENKO KK (JP) 2013-04-10 EP disclosed
US-20130078170-A1 PHOSPHONIUM-BASED IONIC LIQUIDS AND THEIR USE IN THE CAPTURE OF POLLUTING GASES UT BATTELLE (US) 2013-03-28 US disclosed
WO-2013044026-A1 PHOSPHONIUM-BASED IONIC LIQUIDS AND THEIR USE IN THE CAPTURE OF POLLUTING GASES UT-BATTELLE, LLC (US) 2013-03-28 WO disclosed
EP-2508527-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND USE THEREFOR Showa Denko K.K. (JP) 2012-10-10 EP disclosed
US-20120235132-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND USES THEREOF SAMSUNG ELECTRONICS CO., LTD (KR) 2012-09-20 US disclosed
US-20090315454-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE SHOWA DENKO K.K. (JP) 2009-12-24 US disclosed
EP-2084171-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE Showa Denko K.K. (JP) 2009-08-05 EP disclosed
WO-2008056799-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE SHOWA DENKO K.K. (JP) 2008-05-15 WO disclosed
US-4904814-A CATALYTIC TRANSESTERIFICATION OF METHYL OR ETHYL ESTERS WITH TERTIARY ALCOHOL CIBA-GEIGY CORPORATION (US) 1990-02-27 US disclosed
EP-0160136-B1 CRYSTALLINE ENCILITE COMPOSITE, ITS PREPARATION AND USE Council of Scientific and Industrial Research (IN) 1988-12-21 EP disclosed
EP-0278914-A2 Process for the preparation of tert.-alkyl esters of succinic acid CIBA-GEIGY AG (CH) 1988-08-17 EP disclosed
EP-0160136-A1 Crystalline encilite composite, its preparation and use Council of Scientific and Industrial Research (IN) 1985-11-06 EP disclosed
US-4300015-A CATALYSTS FOR PARAFIN-OLEFIN ALKYLATION SUN OIL COMPANY OF PENNSYLVANIA (US) 1981-11-10 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 (3 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-20090315454-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE ELP1, RUVBL1, LIG1 CES1 3131/4885CES2 2837/4885ALDH1A1 986/4885
US-20120235132-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND USES THEREOF ELP1, AGO2, IPO5 CES1 4414/4885CES2 4335/4885ALDH1A1 394/4885
US-20130078170-A1 PHOSPHONIUM-BASED IONIC LIQUIDS AND THEIR USE IN THE CAPTURE OF POLLUTING GASES PLCB1, PIP4K2B, PLCG1 CES1 3579/4885CES2 3870/4885ALDH1A1 4086/4885

“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.