SCHEMBL388185

SCHEMBL388185

COc1ccc(I)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA14 Q9ULX7 2/20 0.62
CYP1A1 P04798 8/20 0.54
CYP1A2 P05177 8/20 0.54
CYP1B1 Q16678 8/20 0.54
ALDH1A1 P00352 5/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2E1 P05181 2/20 0.48
CYP2C8 P10632 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2A6 P11509 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP4B1 P13584 2/20 0.48
CYP2B6 P20813 2/20 0.48
CYP3A5 P20815 2/20 0.48
CYP2A7 P20853 2/20 0.48

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
SCHEMBL29445512 1.00 CA12 (0.62) CA12CA1CA2CA7CA9
Propionaldehyde SCHEMBL27675297 0.85 ALDH1A1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL27675293 0.84 HSD17B10 (0.49) CA12CA1CA2CA7CA9
SCHEMBL15709360 0.83 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL14999429 0.81 NQO1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL30776243 0.81 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL481218 0.81 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL30548757 0.80 CA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL4992020 0.80 CA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL23099950 0.80 RUNX1 (0.42) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111269205-B Preparation method of C-aryl glycoside compound 华侨大学 2023-05-26 CN claimed
CN-112939829-B Synthetic method of aryl trifluoromethyl thioether 武汉药明康德新药开发有限公司 2023-02-21 CN claimed
CN-112939829-A Synthetic method of aryl trifluoromethyl thioether 武汉药明康德新药开发有限公司 2021-06-11 CN claimed
CN-106748604-B Method for synthesizing mono-iodo aromatic hydrocarbon or di-iodo aromatic hydrocarbon based on decarboxylation of aromatic carboxylic acid 湘潭大学 2020-06-05 CN claimed
EP-3805237-B1 SYNTHESIS AND USES OF PEPTIDE BORATE ESTER COMPOUND JIANGSU CHUANGTE PHARMACEUTICAL TECH CO LTD (CN) 2026-01-28 EP disclosed
US-20240270709-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SFC CO., LTD. (KR) 2024-08-15 US disclosed
CN-110028465-B Novel compound, composition containing same, and cured product of composition 克美 2023-12-15 CN disclosed
CN-114150336-B Preparation method of bromo/iodo arene derivative 哈尔滨工业大学(深圳) 2023-05-30 CN disclosed
CN-111269205-B Preparation method of C-aryl glycoside compound 华侨大学 2023-05-26 CN disclosed
CN-115785137-A Synthesis and application of peptide borate compound 江苏正大丰海制药有限公司 2023-03-14 CN disclosed
CN-112939829-B Synthetic method of aryl trifluoromethyl thioether 武汉药明康德新药开发有限公司 2023-02-21 CN disclosed
US-11542283-B2 Synthesis of peptide borate ester compound and use thereof JIANGSU CHIA TAI FENGHAI PHARMACEUTICAL CO., LTD. (CN) 2023-01-03 US disclosed
EP-1061112-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-12-20 EP disclosed
US-6071927-A Spiro-piperidine derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2000-06-06 US disclosed
WO-2000027853-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-05-18 WO disclosed
US-5929281-A REACTING A HETROCYCLIC AROMATIC HALIDE WITH AN AMINE COMPOUND IN PRESENCE OF A BASE USING A TRI-TERT-BUTYLPHOSPHINE AND PALLADIUM COMPOUND CATALYST TO FORM HETEROCYCLIC AROMATIC AMINE COMPOUNDS TOSOH CORPORATION (JP) 1999-07-27 US disclosed
EP-0906315-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1999-04-07 EP disclosed
WO-1997049710-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1997-12-31 WO disclosed
EP-0802173-A1 Process for producing heterocylic aromatic amine or arylamine Tosoh Corporation (JP) 1997-10-22 EP disclosed
US-3970707-A Method for preparing 3,5,3',5'-tetrabromo-2,4,2',4'-tetraoxydiphenyl SHVEDOV VASILY IVANOVICH 1976-07-20 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 (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-20240270709-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME AOX1, ORC3, PPOX CA12 2146/4885CA1 3300/4885CA2 3528/4885
US-11542283-B2 Synthesis of peptide borate ester compound and use thereof SEM1, VIP, PSMB11 CA12 1330/4885CA1 1390/4885CA2 2731/4885

“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.