SCHEMBL65396

SCHEMBL65396

O=C(Cl)c1ccc(I)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.59
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
GSK3B P49841 1/20 0.50
ALDH1A1 P00352 1/20 0.48
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
APP P05067 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
PHGDH O43175 1/20 0.36
PDPK1 O15530 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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 SCHEMBL28845350 0.97 TPMT (0.56) TPMTCA1CA2GSK3BALDH1A1
SCHEMBL10334478 0.93 TPMT (0.52) TPMTCA1CA2GSK3BALDH1A1
SCHEMBL68148 0.85 ALDH1A1 (0.59) CA1CA2ALDH1A1TP53TSHR
SCHEMBL20587670 0.85 ALDH1A1 (0.59) CA1CA2ALDH1A1TP53TSHR
SCHEMBL28787222 0.82 ALDH1A1 (0.56) CA1CA2ALDH1A1TP53TSHR
Hydrochloric Acid SCHEMBL2362644 0.82 ALDH1A1 (0.56) CA1CA2ALDH1A1TP53TSHR
Hydrogen Sulfide SCHEMBL10896015 0.82 ALDH1A1 (0.56) CA1CA2ALDH1A1TP53TSHR
Ammonia Solution, Strong SCHEMBL2023211 0.82 ALDH1A1 (0.56) CA1CA2ALDH1A1TP53TSHR
SCHEMBL6758498 0.82 ALDH1A1 (0.64) CA1CA2ALDH1A1TP53TSHR
Benzene SCHEMBL10386399 0.79 ALDH1A1 (0.54) CA1CA2GSK3BALDH1A1TP53

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 1575 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117902997-B Amine antioxidant and preparation method and application thereof PETROCHINA COMPANY LIMITED (CN) 2026-05-26 CN claimed
WO-2024261504-A1 BENZOFURAN-3-CARBOXYLIC ACID AMIDES AND BENZOFURAN-3- CARBONYL-BENZAMIDES, METHOD FOR THEIR PRODUCTION WITH HIGH SELECTIVITY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PÉCSI TUDOMÁNYEGYETEM (HU) 2024-12-26 WO claimed
CN-118894996-A Self-repairing organic platinum gel material and preparation method and application thereof 南京工业大学 2024-11-05 CN claimed
CN-115708891-B Developing drug-carrying microsphere based on microfluidic technology and preparation method and application thereof 四川大学 2024-06-18 CN claimed
CN-117964605-A Arylpyrazole pyridine derivative and preparation method and application thereof 北京工业大学 2024-05-03 CN claimed
CN-117902997-A Amine antioxidant and preparation method and application thereof 中国石油天然气股份有限公司 2024-04-19 CN claimed
CN-111393354-B Method for preparing tecovirime 西佳技术公司 2023-06-20 CN claimed
CN-114853627-B Substituted docosahexaenoic amide ethyl benzoate derivative and preparation method and application thereof 自然资源部第三海洋研究所 2023-06-20 CN claimed
US-11629157-B2 Fluoro-boron pyrrole liquid crystal compounds containing 8-(bisphenylethynyl)-ester group flexible multiple ring, preparation method and use thereof DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2023-04-18 US claimed
CN-113816974-B Porphyrin covalent connection sym-triazacyclonium compound and preparation and application thereof 同济大学 2022-09-06 CN claimed
EP-1963344-A1 ORGANOPHOSPHORIC DERIVATIVES USEFUL AS ANTI-PARASITIC AGENTS UNIVERSITEIT GENT (BE) 2008-09-03 EP claimed
WO-2007071453-A1 ORGANOPHOSPHORIC DERIVATIVES USEFUL AS ANTI-PARASITIC AGENTS UNIVERSITEIT GENT (BE) 2007-06-28 WO claimed
JP-2002540088-A 2002-11-26 JP claimed
EP-1165472-A4 METHODS FOR THE PREPARATION OF BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL MYERS SQUIBB CO (US) 2002-11-20 EP claimed
EP-1165472-A1 METHODS FOR THE PREPARATION OF BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-02 EP claimed
WO-2000056685-A1 METHODS FOR THE PREPARATION OF BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-09-28 WO claimed
EP-0904077-A4 METHODS FOR THE PREPARATION OF BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL MYERS SQUIBB CO (US) 1999-12-22 EP claimed
EP-0904077-A2 METHODS FOR THE PREPARATION OF BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-31 EP claimed
WO-1997029747-A1 METHODS FOR THE PREPARATION OF BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-21 WO claimed
WO-1994005618-A1 PROCESS FOR THE PRODUCTION OF DIIODOKETONES EASTMAN KODAK COMPANY (US) 1994-03-17 WO 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 (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-11629157-B2 Fluoro-boron pyrrole liquid crystal compounds containing 8-(bisphenylethynyl)-ester group flexible multiple ring, preparation method and use thereof CYP46A1, BCL6, DHCR7 TPMT 3205/4885CA1 1839/4885CA2 3804/4885

“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.