SCHEMBL3885342

SCHEMBL3885342

CC(S)Sc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MGLL Q99685 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
SLC6A4 P31645 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34
PTPN1 P18031 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33

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
SCHEMBL890870 0.86 HPGD (0.31) MAOAHPGDHSD17B10SLC6A4
SCHEMBL890991 0.82 MAOA (0.33) MAOAMAOBSLC6A4ALDH1A1MTNR1A
SCHEMBL343269 0.78 SMN1; SMN2 (0.45) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL5173197 0.78 SMN1; SMN2 (0.45) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL1453001 0.78 SMN1; SMN2 (0.45) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL1713865 0.77 SMN1; SMN2 (0.50) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL890865 0.76 MAOA (0.33) MAOAMAOBMAPTKDM4ETDP1
Fluoride SCHEMBL27856329 0.76 MAOA (0.48) MAOAMAOBSMN1; SMN2MAPTHPGD
Fluoride SCHEMBL1336886 0.76 MAOA (0.48) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL22446622 0.75 EPHX1 (0.56) HSD17B10ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1226870-A None JP disclosed
CN-118159584-A Curable resin composition and cured product thereof 株式会社大赛璐 2024-06-07 CN disclosed
US-20240166795-A1 XYLYLENE DIISOCYNATE COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF WANHUA CHEMICAL GROUP CO., LTD. (CN) 2024-05-23 US disclosed
EP-3825301-B1 XYLYLENEDIISOCYANATE COMPOSITION, XYLYLENEDIISOCYANATE-MODIFIED COMPOSITION, TWO-COMPONENT RESIN MATERIAL, AND RESIN MITSUI CHEMICALS INC (JP) 2024-04-17 EP disclosed
CN-110643010-B Isocyanate composition and optical resin prepared from same 万华化学集团股份有限公司 2024-04-09 CN disclosed
CN-117801222-A Cyclohexane dimethylene diisocyanate composition, modified composition, polyurethane resin and optical resin 万华化学集团股份有限公司 2024-04-02 CN disclosed
WO-2024048612-A1 CURABLE COMPOSITION, CURED PRODUCT, AND METHOD FOR PRODUCING CURED PRODUCT 株式会社クレハ 2024-03-07 WO disclosed
CN-113980238-B Benzenedimethylene diisocyanate composition and preparation method and application thereof 万华化学集团股份有限公司 2024-02-27 CN disclosed
CN-117467307-A curable composition 东京应化工业株式会社 2024-01-30 CN disclosed
EP-4306509-A1 XYLYLENE DIISOCYNATE COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF Wanhua Chemical Group Co., Ltd (CN) 2024-01-17 EP disclosed
CN-1538937-A Dispersed ingredient having metal-oxygen �ձ�������ʽ���� 2004-10-20 CN disclosed
US-6770734-B2 POLYMERIZABLE TO MAKE POLYTHIOURETHANES; LENSES WITH A HIGH REFRACTIVE INDEX MITSUI CHEMICALS, INC. (JP) 2004-08-03 US disclosed
US-20030149230-A1 Polythiol compound MITSUI CHEMICALS, INC. (JP) 2003-08-07 US disclosed
EP-1066335-A1 SULPHUR PRODUCTS FOR ADDING A POLYTHIOL ON A NORBORNENE DERIVATIVE, PREPARATION METHOD AND USE FOR OBTAINING RADICAL CROSS-LINKING PRODUCTS CRAY VALLEY SA (FR) 2001-01-10 EP disclosed
WO-1999051663-A1 SULPHUR PRODUCTS FOR ADDING A POLYTHIOL ON A NORBORNENE DERIVATIVE, PREPARATION METHOD AND USE FOR OBTAINING RADICAL CROSS-LINKING PRODUCTS CRAY VALLEY S.A. (FR) 1999-10-14 WO disclosed
US-5736609-A A POLYTHIO COMPOUND CONTAINING AT LEAST TWO MERCAPTO GROUPS, A POLYISO(THIO)CYANATE COMPOUND, AND A COMPOUND HAVING TWO OR MORE UNSATURATED REACTIVE GROUPS MITSUI TOATSU CHEMICALS, INC. (JP) 1998-04-07 US disclosed
US-5594088-A PLASTICS WITH SULFIDE GROUPS, NONIONIC SURFACTANTS, SILICONE SURFACTANTS AND QUATERNARY AMMONIUM SALTS AS RELEASE AGENTS MITSUI TOATSU CHEMICALS, INC. (JP) 1997-01-14 US disclosed
EP-0351073-A2 Lens comprising a resin having a large refractive index and process for preparing the lens MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-01-17 EP disclosed
JP-H01226870-A NOVEL THIOLCARBOXYLIC ACID ESTER NIPPON SHOKUBAI KAGAKU KOGYO CO LTD 1989-09-11 JP disclosed
US-4355185-A BY HYDRAZINOLYSIS OF S-ALKYLISOTHIURONIUM SALTS AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1982-10-19 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-20240166795-A1 XYLYLENE DIISOCYNATE COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF DCXR, NOTUM, FDFT1 MAOA 2447/4885MAOB 2245/4885SMN1; SMN2 3645/4885

“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.