SCHEMBL2566617

SCHEMBL2566617

CCCCCCCCOc1c(OCCCCCCCC)c(Br)c2nonc2c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.41
THRB P10828 4/20 0.41
ABCB1 P08183 1/20 0.40
LMNA P02545 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
SMPD1 P17405 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NR5A1 Q13285 1/20 0.36
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MCHR1 Q99705 1/20 0.34
S1PR2 O95136 1/20 0.34

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
SCHEMBL2564371 1.00 THRA (0.41) THRATHRBABCB1LMNAFAAH
SCHEMBL16576530 0.91 THRA (0.38) THRATHRBABCB1LMNAFAAH
SCHEMBL15837504 0.91 THRA (0.38) THRATHRBABCB1LMNAFAAH
SCHEMBL18427951 0.89 THRA (0.40) THRATHRBABCB1LMNAFAAH
SCHEMBL23352451 0.81 ABCB1 (0.40) THRATHRBABCB1LMNAFAAH
SCHEMBL14850168 0.81 THRA (0.42) THRATHRBNR5A1
SCHEMBL15979466 0.81 THRA (0.42) THRATHRBNR5A1
SCHEMBL2237149 0.81 THRA (0.42) THRATHRBNR5A1
SCHEMBL14331932 0.81 THRA (0.42) THRATHRBNR5A1
SCHEMBL28013934 0.79 THRA (0.41) THRATHRBNR5A1MCHR1S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2825587-B1 CONJUGATED POLYMERS RAYNERGY TEK INC (TW) 2022-11-23 EP disclosed
EP-3243818-B1 POLYMERS OF BENZODITHIOPHENE AND THEIR USE AS ORGANIC SEMICONDUCTORS RAYNERGY TEK INC (TW) 2021-02-17 EP disclosed
US-10158079-B2 Polymers of benzodithiophene and their use as organic semiconductors MERCK PATENT GMBH (DE) 2018-12-18 US disclosed
EP-2734527-B1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2018-01-10 EP disclosed
EP-3243818-A1 POLYMERS OF BENZODITHIOPHENE AND THEIR USE AS ORGANIC SEMICONDUCTORS Merck Patent GmbH (DE) 2017-11-15 EP disclosed
EP-2560965-B1 POLYMERS OF BENZODITHIOPHENE AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2017-06-14 EP disclosed
US-9577197-B2 Conjugated polymers MERCK PATENT GMBH (DE) 2017-02-21 US disclosed
US-9559305-B2 Conjugated polymers MERCK PATENT GMBH (DE) 2017-01-31 US disclosed
US-9166073-B2 Method for producing conjugated polymer, conjugated polymer, photoelectric conversion element, solar cell, and solar cell module MITSUBISHI CHEMICAL CORPORATION (JP) 2015-10-20 US disclosed
US-20150207076-A1 POLYMERS OF BENZODITHIOPHENE AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2015-07-23 US disclosed
US-20150076418-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2015-03-19 US disclosed
EP-2825587-A2 CONJUGATED POLYMERS Merck Patent GmbH (DE) 2015-01-21 EP disclosed
US-20140243488-A1 METHOD FOR PRODUCING CONJUGATED POLYMER, CONJUGATED POLYMER, PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL, AND SOLAR CELL MODULE MITSUBISHI CHEMICAL CORPORATION (JP) 2014-08-28 US disclosed
US-20140175339-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2014-06-26 US disclosed
EP-2734527-A1 CONJUGATED POLYMERS Merck Patent GmbH (DE) 2014-05-28 EP disclosed
WO-2013135339-A2 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2013-09-19 WO disclosed
EP-2560965-A1 POLYMERS OF BENZODITHIOPHENE AND THEIR USE AS ORGANIC SEMICONDUCTORS Merck Patent GmbH (DE) 2013-02-27 EP disclosed
US-20130043434-A1 POLYMERS OF BENZODITHIOPHENE AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-02-21 US disclosed
WO-2013010615-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2013-01-24 WO disclosed
WO-2011131280-A1 POLYMERS OF BENZODITHIOPHENE AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2011-10-27 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-20150207076-A1 POLYMERS OF BENZODITHIOPHENE AND THEIR USE AS ORGANIC SEMICONDUCTORS TST, TPST2, PPOX THRA 4613/4885THRB 4559/4885ABCB1 219/4885
US-20150076418-A1 CONJUGATED POLYMERS OCIAD2, OCIAD1, BPNT1 THRA 4624/4885THRB 4067/4885ABCB1 556/4885
US-20130043434-A1 POLYMERS OF BENZODITHIOPHENE AND THEIR USE AS ORGANIC SEMICONDUCTORS TST, TPST2, PPOX THRA 4613/4885THRB 4559/4885ABCB1 219/4885
US-10158079-B2 Polymers of benzodithiophene and their use as organic semiconductors TST, TPST2, PPOX THRA 4613/4885THRB 4559/4885ABCB1 219/4885

“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.