SCHEMBL2320126

SCHEMBL2320126

CSc1cccc(C)c1SC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 2/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 5/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 2/20 0.36
SCN4A P35499 4/20 0.35
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GRM5 P41594 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 1/20 0.32
TRPA1 O75762 2/20 0.32
CD44 P16070 1/20 0.32
ATM Q13315 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
Ammonia Solution, Strong SCHEMBL7609958 0.98 CYP2A6 (0.36) CYP2A6CYP1A2TSHRACHEALDH1A1
Ammonia Solution, Strong SCHEMBL4446667 0.98 CYP2A6 (0.36) CYP2A6CYP1A2TSHRACHEALDH1A1
Ammonia Solution, Strong SCHEMBL6855349 0.98 CYP2A6 (0.36) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL28762438 0.88 LMNA (0.37) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL4460481 0.84 CYP2A6 (0.45) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL18378891 0.84 ALDH1A1 (0.34) ALDH1A1LMNAMAPTL3MBTL1GRM5
Ammonia Solution, Strong SCHEMBL16781733 0.81 ALDH1A1 (0.33) ALDH1A1LMNAMAPTL3MBTL1GRM5
SCHEMBL6735223 0.78 CYP2A6 (0.36) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL700366 0.77 TRPA1 (0.44) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL30367649 0.77 TRPA1 (0.44) CYP2A6CYP1A2TSHRACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007149964-A2 ROUND RUBBER CHAMPHERING RING VITALE JOHN (US) 2007-12-27 WO claimed
WO-1998058979-A1 POLYUREA POLYURETHANE ELASTOMERS WITH HIGH TEMPERATURE RESISTANCE AND/OR FLAME-RETARDANT AND/OR EXCELLENT RESISTANCE TO HYDROLYSIS GANGA ROLAND (FR) 1998-12-30 WO claimed
WO-1991010691-A1 CURATIVE FOR STRUCTURAL URETHANE ADHESIVE ASHLAND OIL, INC. (US) 1991-07-25 WO claimed
EP-4553061-A1 METHOD FOR PRODUCING FLUORINATED ORGANIC COMPOUND DAIKIN INDUSTRIES, LTD. (JP) 2025-05-14 EP disclosed
CN-119403778-A Process for producing fluorinated organic compound 大金工业株式会社 2025-02-07 CN disclosed
EP-4317124-A1 METHOD FOR PRODUCING ORGANIC FLUORINE COMPOUNDS DAIKIN INDUSTRIES, LTD. (JP) 2024-02-07 EP disclosed
US-20240018081-A1 METHOD FOR PRODUCING ORGANIC FLUORINE COMPOUNDS DAIKIN INDUSTRIES, LTD. (JP) 2024-01-18 US disclosed
WO-2024009998-A1 METHOD FOR PRODUCING FLUORINATED ORGANIC COMPOUND ダイキン工業株式会社 2024-01-11 WO disclosed
CN-117098744-A Method for producing organofluorine compound 大金工业株式会社 2023-11-21 CN disclosed
US-11725075-B2 Thermoplastic polyurethane BASF SE (DE) 2023-08-15 US disclosed
EP-4223736-A1 PRODUCTION METHOD FOR FLUORINATED ORGANIC COMPOUND Daikin Industries, Ltd. (JP) 2023-08-09 EP disclosed
US-20040245505-A1 Process for the production of fluorinated organic compounds and fluorinating agents DAIKIN INDUSTRIES, LTD. (JP) 2004-12-09 US disclosed
US-6784327-B2 ORGANIC COMPOUNDS HAVING HYDROGEN ATOMS, WHICH SERVE AS STARTING MATERIALS, ARE FLUORINATED USING IF5 DAIKIN INDUSTRIES, LTD. (JP) 2004-08-31 US disclosed
EP-0987567-B1 A sulfur-containing (thio)ether (co)polymer and a use thereof MITSUI CHEMICALS INC (JP) 2004-04-07 EP disclosed
US-20030176747-A1 Process for the production of fluorinated organic compounds and fluorinating agents DAIKIN INDUSTRIES, LTD. (JP) 2003-09-18 US disclosed
EP-1304316-A1 PROCESSES FOR THE PRODUCTION OF FLUORINATED ORGANIC COMPOUNDS AND FLUORINATING AGENTS Daikin Industries, Ltd. (JP) 2003-04-23 EP disclosed
WO-2002102871-A1 SURFACTANT-FREE, FLEXIBLE POLYUREA SPRAY FOAM HUNTSMAN PETROCHEMICAL CORPORATION (US) 2002-12-27 WO disclosed
US-6320020-B1 POLYMER OR COPOLYMER CONTAINING A SULFUR ATOM WHOSE PRINCIPAL BACKBONE COMPRISES ETHER AND/OR THIOETHER BONDS; OPTICAL DISK SUBSTRATE; A LIQUID-CRYSTAL PLASTIC SUBSTRATE; VARIOUS OPTICAL LENSES INCLUDING AN EYEGLASS; AND AN LED SEALING COAT. MITSUI CHEMICALS, INC. (JP) 2001-11-20 US disclosed
EP-0987567-A1 A sulfur-containing (thio)ether (co)polymer and a use thereof Mitsui Chemicals, Inc. (JP) 2000-03-22 EP disclosed
WO-1998058979-A1 POLYUREA POLYURETHANE ELASTOMERS WITH HIGH TEMPERATURE RESISTANCE AND/OR FLAME-RETARDANT AND/OR EXCELLENT RESISTANCE TO HYDROLYSIS GANGA ROLAND (FR) 1998-12-30 WO 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-20240018081-A1 METHOD FOR PRODUCING ORGANIC FLUORINE COMPOUNDS PFAS, FBL, FLNB CYP2A6 1906/4885CYP1A2 631/4885TSHR 1601/4885
US-20040245505-A1 Process for the production of fluorinated organic compounds and fluorinating agents PFAS, AFF4, AFF1 CYP2A6 1975/4885CYP1A2 1644/4885TSHR 2577/4885
US-20030176747-A1 Process for the production of fluorinated organic compounds and fluorinating agents PFAS, AFF4, AFF1 CYP2A6 1975/4885CYP1A2 1644/4885TSHR 2577/4885

“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.