SCHEMBL4260153

SCHEMBL4260153

CCOCC1COc2cscc2O1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 3/20 0.34
POLB P06746 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPK1 P28482 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
FFAR1 O14842 1/20 0.31
MTNR1A P48039 1/20 0.31
HPGD P15428 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
SCHEMBL14188552 0.92 ALDH1A1 (0.36) ALDH1A1CYP2D6POLBESR2CYP2C19
SCHEMBL20348449 0.91 ALDH1A1 (0.35) ALDH1A1CYP2D6POLBESR2CYP2C19
SCHEMBL4257289 0.88 ALDH1A1 (0.39) ALDH1A1CYP2D6POLBESR2CYP2C19
SCHEMBL5895577 0.85 TSHR (0.37) ALDH1A1CYP2D6L3MBTL1MAPK1PRMT5
SCHEMBL4257136 0.85 SMN1; SMN2 (0.50) ALDH1A1CYP2D6POLBESR2CYP2C19
SCHEMBL13321811 0.85 ALDH1A1 (0.37) ALDH1A1CYP2D6POLBESR2CYP2C19
SCHEMBL12361954 0.84 ALDH1A1 (0.36) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL25153489 0.84 ALDH1A1 (0.37) ALDH1A1CYP2D6POLBESR2CYP2C19
SCHEMBL4263623 0.84 ALDH1A1 (0.50) ALDH1A1CYP2D6
SCHEMBL4269337 0.83 L3MBTL1 (0.33) ALDH1A1CYP2D6POLBESR2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221933-A1 CONDUCTIVE POLYMER MATERIAL AND USE THEREOF ETERNAL MATERIALS CO., LTD. (TW) 2021-07-22 US 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-1327645-B1 Process for the production of neutral poly(ethylenedioxythiophene) and related poly(ethylenedioxythiophenes) STARCK H C GMBH (DE) 2009-10-21 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
US-6756473-B2 REACTING WITH OXIDIZER; APPLYING TO SUBSTRATE BAYER AKTIENGESELLSCHAFT (DE) 2004-06-29 US disclosed
US-20030139505-A1 Process for the preparation of neutral polyethylenedioxythiophene, and corresponding polyethylenedioxythiophenes HERAEUS PRECIOUS METALS GMBH & CO. KG (DE) 2003-07-24 US disclosed
EP-1327645-A1 Process for the production of neutral poly(ethylenedioxythiophene) and related poly(ethylenedioxythiophenes) Bayer Aktiengesellschaft (DE) 2003-07-16 EP 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 ALDH1A1 220/4885CYP2D6 673/4885POLB 3587/4885
US-20090008609-A1 dehalogenation and hydrolysis to form a water soluble polythiophene monomer; PEDOT electroconductive polymers HPD, HAAO, DDT ALDH1A1 433/4885CYP2D6 137/4885POLB 1072/4885

“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.