SCHEMBL36459

SCHEMBL36459

S=C(SCc1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
IDO1 P14902 7/20 0.52
NOS1 P29475 2/20 0.52
NOS3 P29474 1/20 0.52
NOS2 P35228 1/20 0.52
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL1524417 0.96 CA12 (0.53) CA12CA1CA2CA9IDO1
SCHEMBL164241 0.96 CA12 (0.59) CA12CA1CA2CA9IDO1
SCHEMBL20815367 0.90 HDAC3 (0.56) CA12CA1CA2CA9IDO1
SCHEMBL6721001 0.88 CA12 (0.52) CA12CA1CA2CA9IDO1
SCHEMBL28472436 0.87 CA12 (0.59) CA12CA1CA2CA9IDO1
SCHEMBL7584270 0.87 L3MBTL1 (0.54) CA12CA1CA2CA9IDO1
SCHEMBL29060727 0.87 L3MBTL1 (0.54) CA12CA1CA2CA9IDO1
SCHEMBL4386352 0.87 CA12 (0.50) CA12CA1CA2CA9IDO1
SCHEMBL7573418 0.87 CA12 (0.50) CA12CA1CA2CA9IDO1
SCHEMBL13991169 0.85 HPGD (0.49) CA12CA1CA2CA9HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4001345-B1 DEGRADABLE HYPERBRANCHED RESIN, PREPARATION METHOD THEREFOR, AND USE THEREOF UNIV SOUTH CHINA TECH (CN) 2026-04-01 EP claimed
CN-121574285-A Alcohol-soluble bio-based citronella polymer and preparation method and application thereof 武汉纺织大学 2026-02-27 CN claimed
US-12539650-B2 Method for making embedded hydrogel contact lenses ALCON INC. (CH) 2026-02-03 US claimed
CN-119812455-A Brush polymer electrolyte, controllable preparation method and application 浙江新安化工集团股份有限公司 2025-04-11 CN claimed
CN-119569921-A Hydrolysis-resistant agent, preparation method, hydrolysis-resistant glass fiber reinforced polybutylene terephthalate resin and preparation method thereof 万华化学集团股份有限公司 2025-03-07 CN claimed
EP-4514595-A1 METHOD FOR MAKING EMBEDDED HYDROGEL CONTACT LENSES Alcon Inc. (CH) 2025-03-05 EP claimed
CN-119192931-B Antibacterial formaldehyde-removing artistic coating and preparation method thereof 广东卡百利新材料科技有限公司 2025-02-18 CN claimed
CN-119286490-A Acid-resistant nano polymer microsphere inclusion plugging system and preparation method and application thereof 中国石油大学(华东) 2025-01-10 CN claimed
CN-119192931-A Antibacterial formaldehyde-removing artistic coating and preparation method thereof 广东卡百利新材料科技有限公司 2024-12-27 CN claimed
EP-4240578-B1 METHOD FOR MAKING PHOTOCHROMIC CONTACT LENSES ALCON INC (CH) 2024-12-18 EP claimed
US-7776975-B2 Aqueous polymerization process for preparing an aqueous polymer dispersion ROHM AND HAAS COMPANY (US) 2010-08-17 US claimed
US-20090280430-A1 Method for Manufacturing Toner LG CHEM, LTD. (KR) 2009-11-12 US claimed
CN-101559343-A Method for preparing magnetic temperature-sensitive composite microsphere with nuclear shell structure by adopting in-situ grafting technique UNIV TONGJI (CN) 2009-10-21 CN claimed
CN-101542395-A Method for manufacturing toner LG CHEMICAL LTD (KR) 2009-09-23 CN claimed
WO-2008093996-A1 METHOD FOR MANUFACTURING TONER LG CHEM, LTD. (KR) 2008-08-07 WO claimed
WO-2008089518-A1 POLYMER SYNTHESIS POLYMERS CRC LTD (AU) 2008-07-31 WO claimed
EP-1950232-A1 Process for the preparation of graft copolymers by Reversible Addition Fragmentation Chain Transfer (RAFT) and Ring Opening Polymerisation (ROP) Polymers Australia PTY Limited (AU) 2008-07-30 EP claimed
CN-1331851-C Chain transfer agent DU PONT (US) 2007-08-15 CN claimed
US-6458968-B2 REACTING A CARBOXYLIC ACID COMPOUND WITH AN ALCOHOL OR MERCAPTAN, THEN PHOSPHORUS PENTASULFIDE RENSSELAER POLYTECHNIC INSTITUTE 2002-10-01 US claimed
US-20020019554-A1 Dithiocarboxylic ester synthetic process RENSSELAER POLYTECHNIC INSTITUTE 2002-02-14 US claimed

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-12539650-B2 Method for making embedded hydrogel contact lenses INF2, CRYZ, CRYAA CA12 1690/4885CA1 1662/4885CA2 3767/4885
US-20020019554-A1 Dithiocarboxylic ester synthetic process TST, PCCA, CTH CA12 703/4885CA1 298/4885CA2 503/4885

“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.