SCHEMBL20331

SCHEMBL20331

Cc1ccc(C(C)(C)C)cc1S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 2/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
KIF11 P52732 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HTR1D P28221 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38

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
SCHEMBL1843380 0.83 TSHR (0.46) TSHRALDH1A1HPGDALOX15HSD17B10
SCHEMBL24423316 0.82 ESR1 (0.48) TSHRALDH1A1HPGDALOX15HSD17B10
SCHEMBL11157398 0.81 PDE2A (0.42) TSHRALDH1A1POLBMAPTMEN1
SCHEMBL7287002 0.81 TSHR (0.44) TSHRALDH1A1HPGDALOX15HSD17B10
SCHEMBL7286991 0.81 TSHR (0.44) TSHRALDH1A1HPGDALOX15HSD17B10
SCHEMBL179803 0.80 ALDH1A1 (0.46) TSHRALDH1A1HPGDALOX15HSD17B10
SCHEMBL29403104 0.80 ALDH1A1 (0.46) TSHRALDH1A1HPGDALOX15HSD17B10
Acetonitrile SCHEMBL6325144 0.80 HPGD (0.35) TSHRALDH1A1HPGDALOX15HSD17B10
SCHEMBL2009857 0.79 TSHR (0.52) TSHRALDH1A1HPGDALOX15HSD17B10
SCHEMBL29498849 0.79 TSHR (0.52) TSHRALDH1A1HPGDALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12084457-B2 Methods for the preparation of 1,3-benzodioxole heterocyclic compounds UNION therapeutics A/S (DK) 2024-09-10 US claimed
CN-109265499-B Reduction dehalogenation method of organic halogenated compound 华中科技大学 2020-10-02 CN claimed
WO-2011124190-A2 METHOD OF PRODUCING 4-(2-(SUBSTITUTED)-1-(1-HYDROXYCYCLOHEXYL)ETHYL)PHENOLS BY O- DEMETHYLATION OF THEIR METHYLETHERS BY MEANS OF INODOROUS AROMATIC THIOLS ZENTIVA, K.S. (CZ) 2011-10-13 WO claimed
US-20090142692-A1 LOW MOLECULAR WEIGHT LATEX AND TONER COMPOSITIONS COMPRISING THE SAME XEROX CORPORATION (US) 2009-06-04 US claimed
US-20060286476-A1 manufactured under monomer-starved polymerization condition such as monomer feeding rate equal to or less than 0.516% per minute by weight of the monomer(s) to be fed; gloss, fusing performance, crease performance, stripping performance, document offset, vinyl offset, and parent charging etc. XEROX CORPORATION 2006-12-21 US claimed
US-6967247-B2 Deprotection of phosphorus in oligonucleotide synthesis ISIS PHARMACEUTICALS, INC. (US) 2005-11-22 US claimed
WO-2004020477-A1 AQUEOUS POLYMER DISPERSIONS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF, ESPECIALLY IN ANTI-CORROSION COATINGS CELANESE EMULSIONS GMBH (DE) 2004-03-11 WO claimed
US-20040024194-A1 Deprotection of phosphorus in oligonucleotide synthesis ISIS PHARMACEUTICALS, INC. 2004-02-05 US claimed
WO-2004009612-A1 DEPROTECTION OF PHOSPHORUS IN OLIGONUCLEOTIDE SYNTHESIS ISIS PHARMACEUTICALS, INC. (US) 2004-01-29 WO claimed
US-6503680-B1 Latex processes XEROX CORPORATION 2003-01-07 US claimed
US-6447974-B1 SEMICONTINUOUS EMULSION POLYMERIZATION PROCESS FOR PREPARING TONER PARTICLES WHEREIN THE LATEX IS FORMED BY EMULSION POLYMERIZATION IN THE PRESENCE OF AN ANIONIC SURFACTANT; EXCELLENT IMAGE UNIFORMITY XEROX CORPORATION 2002-09-10 US claimed
US-6376630-B1 CONTAINING (DI)CYCLOPENTADIENE AND VINYL AROMATIC COMPOUND IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-04-23 US claimed
US-6040388-A HYDROGENATED PRODUCT OF A COPOLYMER OF CYCLOPENTADIENE AND/OR DICYCLOPENTADIENE AND A VINYL-SUBSTITUTED AROMATIC COMPOUND. IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2000-03-21 US claimed
US-5994547-A Process for preparing benzo[b]thiophenes ELI LILLY AND COMPANY (US) 1999-11-30 US claimed
EP-0875511-A1 Demethylation process for preparing benzo[b]thiophenes ELI LILLY AND COMPANY (US) 1998-11-04 EP claimed
EP-0711787-B1 Process for preparing water-soluble polymers HOECHST FRANCE (FR) 1998-09-09 EP claimed
EP-0368697-B1 2-METHYL-5-T-BUTYL THIOPHENOL, ITS PREPARATION AND USE SOCIETE FRANCAISE HOECHST (FR) 1992-09-16 EP claimed
US-4948827-A STABILIZER FOR VINYL CHLORIDE POLYMERS, CHAIN TRANSFER AGENTS AND PEPTIZERS SOCIETE FRANCAISE HOECHST (FR) 1990-08-14 US claimed
JP-11005789-A None JP disclosed
EP-0368697-A1 2-Methyl-5-t-butyl thiophenol, its preparation and use SOCIETE FRANCAISE HOECHST (FR) 1990-05-16 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-12084457-B2 Methods for the preparation of 1,3-benzodioxole heterocyclic compounds PDE4B, PDE4A, PDE4C TSHR 3838/4885ALDH1A1 719/4885HPGD 89/4885
US-20040024194-A1 Deprotection of phosphorus in oligonucleotide synthesis OR51E2, PNKP, RNGTT TSHR 1151/4885ALDH1A1 2710/4885HPGD 4490/4885

“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.