SCHEMBL3203801

SCHEMBL3203801

CCCCOCCOC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
CYP3A4 P08684 3/20 0.46
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.33
RARB P10826 1/20 0.33
CES2 O00748 2/20 0.32
CES1 P23141 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

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
SCHEMBL4838438 1.00 TSHR (0.48) TSHRCYP3A4MEN1THRBHTT
SCHEMBL8586102 0.93 HTT (0.52) TSHRCYP3A4MEN1THRBHTT
SCHEMBL27892742 0.93 HTT (0.52) TSHRCYP3A4MEN1THRBHTT
SCHEMBL27905256 0.93 HTT (0.52) TSHRCYP3A4MEN1THRBHTT
SCHEMBL28205180 0.91 HTT (0.56) TSHRCYP3A4MEN1THRBHTT
SCHEMBL29083539 0.91 HTT (0.56) TSHRCYP3A4MEN1THRBHTT
SCHEMBL30549095 0.91 HTT (0.56) TSHRCYP3A4MEN1THRBHTT
SCHEMBL28602530 0.91 HTT (0.56) TSHRCYP3A4MEN1THRBHTT
SCHEMBL20201550 0.88 HTT (0.41) TSHRCYP3A4MEN1THRBHTT
SCHEMBL19259385 0.85 TSHR (0.48) TSHRCYP3A4MEN1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100425633-C Conjugated diene polymers and copolymer blocks and process for preparing same KRATON POLYMERS US LLC (NL) 2008-10-15 CN claimed
EP-1581571-B1 PROCESS FOR PREPARING CONJUGATED DIENE BLOCK (CO) POLYMERS KRATON POLYMERS RES BV (NL) 2007-06-27 EP claimed
US-7166679-B2 Simultaneously adding a mixture of a monooxygenated acyclic ether such as diethyl ether and a polyoxygenated ether effective in forming chelated complexes with Li+ such as 1,2-diethoxypropane; butadiene-styrene block copolymers; lower glass transition temperature and hardness KRATON POLYMERS LLC (US) 2007-01-23 US claimed
US-7125940-B2 Conjugated diene polymers and copolymer blocks and process for preparing same KRATON POLYMERS U.S. LLC (US) 2006-10-24 US claimed
CN-1745116-A Conjugated diene polymers and copolymer blocks and process for preparing same KRATON POLYMERS US LLC (NL) 2006-03-08 CN claimed
EP-1581571-A1 CONJUGATED DIENE BLOCK (CO) POLYMERS AND PROCESS FOR PREPARING SAME KRATON Polymers Research B.V. (NL) 2005-10-05 EP claimed
WO-2005030821-A1 CONJUGATED DIENE POLYMERS AND COPOLYMER BLOCKS HAVING HIGH VINYL CONTENT PREPARED USING MIXED MICROSTRUCTURE CONTROL AGENTS AND PROCESS FOR PREPARING SAME KRATON POLYMERS RESEARCH B.V. (NL) 2005-04-07 WO claimed
US-20050065287-A1 Conjugated diene polymers and copolymer blocks having high vinyl content prepared using mixed microstructure control agents and process for preparing same KRATON POLYMERS U.S. LLC (US) 2005-03-24 US claimed
US-20040167292-A1 Conjugated diene polymers and copolymer blocks and process for preparing same KRATON POLYMERS U.S. LLC (US) 2004-08-26 US claimed
WO-2004058840-A1 CONJUGATED DIENE BLOCK (CO) POLYMERS AND PROCESS FOR PREPARING SAME KRATON POLYMERS RESEARCH B.V. (NL) 2004-07-15 WO claimed
CN-1130391-C Polymerizing method for conjugate diene monomer SHELL INT RESEARCH (NL) 2003-12-10 CN claimed
EP-0998502-B1 ENHANCED HYDROGENATION CATALYST REMOVAL FROM BLOCK COPOLYMERS BY REDUCTION IN POLYMER CEMENT VISCOSITY BY INCREASING THE VINYL CONTENT OF THE BLOCK COPOLYMERS KRATON POLYMERS RES BV (NL) 2003-02-26 EP claimed
EP-0796871-B1 Process for the polymerisation of conjugated diene monomers SHELL INT RESEARCH (NL) 2000-02-16 EP claimed
US-5795944-A Programmed addition of heavy ethers for microstructure control of diene polymers SHELL OIL COMPANY (US) 1998-08-18 US claimed
CN-1163277-A Polymerizing method for conjugate diene monomer SHELL INT RESEARCH (NL) 1997-10-29 CN claimed
EP-0796871-A2 Process for the polymerisation of conjugated diene monomers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1997-09-24 EP claimed
US-4577002-A STYRENE-BUTADIENE FOR TIRES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V., A COMPANY OF THE NETHERLANDS (NL) 1986-03-18 US claimed
US-20240299265-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2024-09-12 US disclosed
US-4072660-A FROM A 4-OXO-CARBOXYLIC ACID ESTER OR DELTA-ENOL-LACTONE AND STRONG BASE IN GLYCOL DIALKYL ETHER SOLVENT HOECHST AKTIENGESELLSCHAFT (DT) 1978-02-07 US disclosed
US-4028417-A CARBOXYLIC OR PHOSPHORIC ACID AMIDES, SULFOXIDES OR SULFONES OR POLYOXYALKYLENE SOLVENTS HOECHST AKTIENGESELLSCHAFT (DT) 1977-06-07 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-20240299265-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR BCAT1, BCAT2, TYR TSHR 1977/4885CYP3A4 509/4885MEN1 1051/4885

“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.