SCHEMBL4804097

SCHEMBL4804097

Cc1cc(C)cc(Sc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
ACHE P22303 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
HTR1A P08908 2/20 0.40
HTR3A P46098 2/20 0.40
HTR2C P28335 2/20 0.39
HTR6 P50406 1/20 0.39
SLC6A4 P31645 1/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MGLL Q99685 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL10708933 0.85 ACHE (0.46) ALDH1A1HPGDACHETSHRHTR1A
SCHEMBL24376187 0.85 ALDH1A1 (0.37) ALDH1A1HPGDMAOAMAOBACHE
Diphenylsulfane SCHEMBL4810599 0.84 ALDH1A1 (0.56) ALDH1A1HPGDMAOAMAOBACHE
SCHEMBL3689119 0.84 ALDH1A1 (0.44) ALDH1A1HPGDACHELMNATSHR
SCHEMBL3894284 0.83 ACHE (0.50) ALDH1A1HPGDMAOAMAOBACHE
SCHEMBL9488183 0.83 ACHE (0.57) ALDH1A1HPGDACHEHTR1AHTR3A
SCHEMBL19265598 0.82 MLYCD (0.45) ALDH1A1HPGDACHETSHRHTR1A
Diphenylsulfane SCHEMBL2441652 0.81 ACHE (0.65) ALDH1A1HPGDMAOAMAOBACHE
SCHEMBL11125164 0.81 ACHE (0.48) ALDH1A1HPGDMAOAMAOBACHE
SCHEMBL6947110 0.81 MAOA (0.50) ALDH1A1HPGDMAOAMAOBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462447-A Method for synthesizing aryl thioether compound 常州大学 2025-02-18 CN disclosed
EP-3032333-B1 SHRINK MATERIAL AND PATTERN FORMING PROCESS SHINETSU CHEMICAL CO (JP) 2017-05-24 EP disclosed
EP-3168207-A1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2017-05-17 EP disclosed
EP-3032332-B1 SHRINK MATERIAL AND PATTERN FORMING PROCESS SHINETSU CHEMICAL CO (JP) 2017-04-05 EP disclosed
US-7683218-B2 Method for producing thioether compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-23 US disclosed
US-7683218-B2 Method for producing thioether compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-23 US disclosed
US-20080108823-A1 Method For Producing Thioether Compound MSD K.K. (JP) 2008-05-08 US disclosed
US-20080108823-A1 Method For Producing Thioether Compound MSD K.K. (JP) 2008-05-08 US disclosed
US-7323608-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-01-29 US disclosed
US-7323608-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-01-29 US disclosed
US-7112697-B1 Methods for formation of aryl-sulfur and aryl-selenium compounds using copper(I) catalysts UNIVERSITY OF MASSACHUSETTS (US) 2006-09-26 US disclosed
US-20050250959-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-10 US disclosed
CN-1684944-A method for copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INST TECHNOLOGY (US) 2005-10-19 CN disclosed
EP-1534671-A2 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-06-01 EP disclosed
US-6888032-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-05-03 US disclosed
US-20040138468-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-07-15 US disclosed
WO-2004013094-A2 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-12 WO disclosed
US-5250657-A Process for preparing polyarylene thioether SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1993-10-05 US disclosed
EP-0440106-A2 Process for preparing polyarylene thioethers SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1991-08-07 EP disclosed
US-4046656-A Photochlorination process for methyl aromatic compounds THE DOW CHEMICAL COMPANY (US) 1977-09-06 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 (3 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-20050250959-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds CBR3, TST, CBS ALDH1A1 261/4885HPGD 1724/4885MAOA 1832/4885
US-20040138468-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds CBR3, TST, CBS ALDH1A1 250/4885HPGD 1743/4885MAOA 1859/4885
US-20080108823-A1 Method For Producing Thioether Compound TST, MPST, PPIP5K2 ALDH1A1 1088/4885HPGD 2958/4885MAOA 3064/4885

“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.