SCHEMBL1421936

SCHEMBL1421936

Cc1ccc(I)c(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.61
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GFER P55789 1/20 0.49
ALDH1A1 P00352 3/20 0.46
NOTUM Q6P988 2/20 0.46
MCL1 Q07820 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
KDM4E B2RXH2 1/20 0.44
METAP2 P50579 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
MAOB P27338 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL31695396 1.00 CSNK2A1 (0.61) CSNK2A1MEN1KMT2AGFERALDH1A1
SCHEMBL9380353 0.98 CSNK2A1 (0.59) CSNK2A1MEN1KMT2AGFERALDH1A1
SCHEMBL11341497 0.83 CSNK2A1 (0.45) CSNK2A1MEN1KMT2AGFERALDH1A1
SCHEMBL9741686 0.83 CSNK2A1 (0.55) CSNK2A1MEN1KMT2AGFERALDH1A1
SCHEMBL8123981 0.81 CSNK2A1 (0.44) CSNK2A1MEN1KMT2AGFERPPARG
SCHEMBL4174657 0.81 PARP1 (0.44) CSNK2A1MEN1KMT2AGFERALDH1A1
SCHEMBL31627797 0.79 CSNK2A1 (0.68) CSNK2A1MEN1KMT2AGFERALDH1A1
SCHEMBL467550 0.79 CSNK2A1 (0.68) CSNK2A1MEN1KMT2AGFERALDH1A1
Potassium Ion SCHEMBL9380348 0.79 CSNK2A1 (0.42) CSNK2A1MEN1KMT2AGFERALDH1A1
SCHEMBL31506855 0.78 CYP46A1 (0.53) CSNK2A1ALDH1A1KDM4ECA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119241385-B Beta-acyloxy enamide derivative and preparation method and application thereof 江西师范大学 2025-03-25 CN claimed
CN-119241385-A Beta-acyloxy enamide derivative and preparation method and application thereof 江西师范大学 2025-01-03 CN claimed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
CN-116396159-A Synthesis method of 2,2' -biphenyl dicarboxylic acid compound 湖南大学 2023-07-07 CN claimed
CN-109810067-B Preparation method of suvorexant intermediate 扬子江药业集团有限公司 2022-05-20 CN claimed
CN-109810067-A A kind of preparation method of Su Woleisheng intermediate 扬子江药业集团有限公司 2019-05-28 CN claimed
CN-103224482-A Isocoumarin compound, derivatives and synthesis method thereof UNIV SHANGHAI JIAOTONG 2013-07-31 CN claimed
EP-2297135-A1 PROCESS FOR THE PREPARATION OF AN OREXIN RECEPTOR ANTAGONIST Merck Sharp & Dohme Corp. (US) 2011-03-23 EP claimed
WO-2009143033-A1 PROCESS FOR THE PREPARATION OF AN OREXIN RECEPTOR ANTAGONIST MERCK & CO., INC. (US) 2009-11-26 WO claimed
EP-3856179-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-05-13 EP disclosed
EP-4635949-A1 SUBSTITUTED TETRAHYDROCYCLOPENTYL[C]PYRROLE DERIVATIVE, PREPARATION METHOD, INTERMEDIATE AND USE THEREOF Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2025-10-22 EP disclosed
US-12378254-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2025-08-05 US disclosed
CN-120081802-A Heterocyclic substituted benzamide derivative and application thereof 南华大学附属第一医院 2025-06-03 CN disclosed
CN-116217593-B Octahydropyrrolo [3,4-c ] pyrrole methyl ketone derivative and application thereof 江苏恩华药业股份有限公司 2025-05-09 CN disclosed
US-4006145-A CNS DEPRESSANTS, NEUROLEPTICS HOFFMANN-LA ROCHE INC. (US) 1977-02-01 US disclosed
US-4006144-A CNS DEPRESSANTS, NEUROLEPTICS HOFFMANN-LA ROCHE INC. (US) 1977-02-01 US disclosed
US-3996229-A DEPRESSANTS, NEUROLEPTICS HOFFMANN-LA ROCHE INC. (US) 1976-12-07 US disclosed
US-3966737-A NEUROLEPTIC HOFFMANN-LA ROCHE INC. (US) 1976-06-29 US disclosed
US-3954764-A NEUROLEPTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1976-05-04 US disclosed
US-3954769-A NEUROLEPTIC AGENTS HOFFMAN-LA ROCHE INC. (US) 1976-05-04 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 (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-12378254-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR CSNK2A1 4197/4885MEN1 3413/4885KMT2A 1722/4885

“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.