SCHEMBL1141980

SCHEMBL1141980

ClCc1scc2c1OCCO2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.45
BAZ2B Q9UIF8 1/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
GBA1 P04062 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CHEK1 O14757 1/20 0.31
CHEK2 O96017 1/20 0.31
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 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
SCHEMBL5015667 0.80 HTT (0.41) HTTBAZ2BTSHRHPGDNCOA1
SCHEMBL10275020 0.80 HTT (0.49) HTTBAZ2BTSHRHPGDNCOA1
SCHEMBL28938060 0.80 HTT (0.41) HTTBAZ2BTSHRHPGDNCOA1
SCHEMBL2367517 0.80 TSHR (0.47) HTTBAZ2BTSHRHPGDNCOA1
SCHEMBL25402123 0.77 HTT (0.46) HTTBAZ2BTSHRHPGDNCOA1
SCHEMBL28189973 0.77 TSHR (0.49) HTTBAZ2BTSHRHPGDNCOA1
SCHEMBL182767 0.76 HTT (0.39) HTTBAZ2BTSHRHPGDNCOA1
SCHEMBL723215 0.76 HTT (0.39) HTTBAZ2BTSHRHPGDNCOA1
SCHEMBL23091412 0.74 HTT (0.48) HTTBAZ2BTSHRHPGDNCOA1
SCHEMBL20954695 0.73 HTT (0.47) HTTBAZ2BTSHRHPGDNCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021909-A1 BIOFUNCTIONAL THIOPHENE MONOMERS Martin, David C. (US) 2022-07-06 EP disclosed
WO-2021041874-A1 BIOFUNCTIONAL THIOPHENE MONOMERS MARTIN DAVID C (US) 2021-03-04 WO disclosed
EP-1841773-B1 DERIVATIZED 3,4-ALKYLENEDIOXYTHIOPHENE MONOMERS, METHODS OF MAKING THEM, AND USE THEREOF DU PONT (US) 2012-06-27 EP disclosed
US-7999121-B2 Derivatized 3,4-alkylenedioxythiophene monomers, methods of making them, and use thereof E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-08-16 US disclosed
US-20110024693-A1 DERIVATIZED 3,4-ALKYLENEDIOXYTHIOPHENE MONOMERS, METHODS OFMAKING THEM, AND USE THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-03 US disclosed
US-7838688-B2 dehalogenation and hydrolysis to form a water soluble polythiophene monomer; PEDOT electroconductive polymers E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-23 US disclosed
EP-1841773-A4 DERIVATIZED 3,4-ALKYLENEDIOXYTHIOPHENE MONOMERS, METHODS OF MAKING THEM, AND USE THEREOF DU PONT (US) 2009-05-13 EP disclosed
US-20090008609-A1 dehalogenation and hydrolysis to form a water soluble polythiophene monomer; PEDOT electroconductive polymers E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-01-08 US disclosed
EP-1841773-A2 DERIVATIZED 3,4-ALKYLENEDIOXYTHIOPHENE MONOMERS, METHODS OF MAKING THEM, AND USE THEREOF E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-10-10 EP disclosed
WO-2006073968-A2 DERIVATIZED 3,4-ALKYLENEDIOXYTHIOPHENE MONOMERS, METHODS OF MAKING THEM, AND USE THEREOF E. I. DUPONT DE NEMOURS AND COMPANY (US) 2006-07-13 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 (2 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-20110024693-A1 DERIVATIZED 3,4-ALKYLENEDIOXYTHIOPHENE MONOMERS, METHODS OFMAKING THEM, AND USE THEREOF AS3MT, TET3, TET2 HTT 466/4885BAZ2B 2598/4885TSHR 4693/4885
US-20090008609-A1 dehalogenation and hydrolysis to form a water soluble polythiophene monomer; PEDOT electroconductive polymers HPD, HAAO, DDT HTT 409/4885BAZ2B 3253/4885TSHR 3587/4885

“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.