SCHEMBL4602663

SCHEMBL4602663

O=C(Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.31

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
SCHEMBL1314080 0.93 ALDH1A1 (0.46) ALDH1A1CES2CES1TSHRMEN1
SCHEMBL10332197 0.90 ALDH1A1 (0.43) ALDH1A1CES2CES1TSHRMEN1
SCHEMBL103420 0.89 ALDH1A1 (0.48) ALDH1A1CES2CES1
SCHEMBL28124102 0.82 HTT (0.39) ALDH1A1CES2CES1TSHRHSD17B10
SCHEMBL16122067 0.82 CES2 (0.54) ALDH1A1CES2CES1
SCHEMBL11696756 0.82 ALDH1A1 (0.39) ALDH1A1CES2CES1
SCHEMBL2295038 0.81 ALDH1A1 (0.48) ALDH1A1CES2CES1
SCHEMBL7756813 0.80 CA12 (0.40) ALDH1A1TSHRMEN1LMNAMAPT
SCHEMBL29272758 0.80 ALDH1A1 (0.37) ALDH1A1CES2CES1
SCHEMBL11858927 0.80 ALDH1A1 (0.37) ALDH1A1CES2CES1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008096371-A1 ISOINDOLINONE PIGMENTS AND A METHOD OF MANUFACTURING. SUDARSHAN CHEMICAL INDUSTRIES LTD. (IN) 2008-08-14 WO claimed
WO-2008096371-A1 ISOINDOLINONE PIGMENTS AND A METHOD OF MANUFACTURING. SUDARSHAN CHEMICAL INDUSTRIES LTD. (IN) 2008-08-14 WO disclosed
EP-0895991-B1 Halogenating agent MITSUI CHEMICALS INC (JP) 2008-07-09 EP disclosed
CN-101012174-A Halogenating agents MITSUI CHEMICALS INC (JP) 2007-08-08 CN disclosed
US-6632949-B2 Difluoro-diamine methylene derivatives MITSUI CHEMICALS, INC. (JP) 2003-10-14 US disclosed
US-20030004348-A1 Halogenating agents SONODA HIROSHI (JP) 2003-01-02 US disclosed
US-6458990-B1 BIS(DIHYDROCARBYLAMINO)DIFLUOROMETHANE OR CYCLIC DERIVATIVES THEREOF; FORMING BY REACTING ALKALI METAL HALIDE WITH THE CORRESPONDING AMIDINIUM SALT; FLUORINATION OF ALCOHOLS, THIOPHENOLS, ALDEHYDES, AND KETONES MITSUI CHEMICALS, INC. (JP) 2002-10-01 US disclosed
EP-0741123-B1 Process for the preparation of salts of substituted or unsubstituted phthalic acid derivatives CLARIANT GMBH (DE) 2002-09-18 EP disclosed
US-20020042521-A1 Nitrogen-based halogenating agents and process for preparing halogen-containing compounds SONODA HIROSHI (JP) 2002-04-11 US disclosed
US-6329529-B1 FOR FLUORINATING OF ORGANIC COMPOUNDS, EFFICIENCY, POLLUTION CONTROL MITSUI CHEMICALS, INC. (JP) 2001-12-11 US disclosed
EP-0112927-B1 RESIN FOR LENS WITH HIGH REFRACTIVE INDEX AND LENS COMPOSED OF IT MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-02-11 EP disclosed
US-4522993-A COPOLYMER HAVING UNITS FROM A BIS-ALLYL HALOGENATED BENZENE DICARBOXYLATE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1985-06-11 US disclosed
EP-0140482-A2 Fluorination process for the production of nuclear fluorinated phthaloyl- and terephthaloyl fluorides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-05-08 EP disclosed
EP-0112927-A1 RESIN FOR LENS WITH HIGH REFRACTIVE INDEX AND LENS COMPOSED OF IT MITSUI TOATSU CHEMICALS, Inc. (JP) 1984-07-11 EP disclosed
EP-0061013-B1 PROCESS FOR THE PREPARATION OF POLYISOCYANATES BAYER AG (DE) 1984-06-27 EP disclosed
EP-0031436-B1 A METHOD FOR THE CLEAVAGE OF SILOXANES HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1984-02-15 EP disclosed
US-4388246-A THERMAL SPLITTING OF CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 1983-06-14 US disclosed
EP-0061013-A1 Process for the preparation of polyisocyanates BAYER AG (DE) 1982-09-29 EP disclosed
US-4310680-A METAL OR METAL COMPOUND CATALYST DYNAMIT NOBEL AG (DE) 1982-01-12 US disclosed
EP-0031436-A2 A method for the cleavage of siloxanes HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1981-07-08 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-20030004348-A1 Halogenating agents AFF1, NAF1, AFF2 ALDH1A1 833/4885CES2 1384/4885CES1 840/4885
US-20020042521-A1 Nitrogen-based halogenating agents and process for preparing halogen-containing compounds AFF1, NAF1, CYP2F1 ALDH1A1 1492/4885CES2 1835/4885CES1 1233/4885

“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.