SCHEMBL4417025

SCHEMBL4417025

CC(C)N(C(C)C)C1CCCCC1N

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34

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
SCHEMBL3340519 1.00 THRB (0.41) THRBMEN1KMT2AADH1BADH1C
SCHEMBL28370158 0.82 THRB (0.32) THRBMEN1KMT2A
SCHEMBL6658499 0.82 ADH1B (0.41) ADH1BADH1CADH1A
SCHEMBL17426952 0.82 ADH1B (0.41) ADH1BADH1CADH1A
SCHEMBL17426973 0.82 ADH1B (0.41) ADH1BADH1CADH1A
SCHEMBL4302896 0.79 THRB (0.39) THRBMEN1KMT2A
SCHEMBL13264341 0.79 THRB (0.33) THRBMEN1KMT2A
Hydrochloric Acid SCHEMBL6657586 0.77 ADH1B (0.38) ADH1BADH1CADH1A
SCHEMBL187419 0.72 THRB (0.47) THRBMEN1KMT2A
SCHEMBL13993045 0.72

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112441984-B Benzimidazole-substituted phenyl n-butyramide-based compound and preparation method thereof 上海特化医药科技有限公司 2024-04-19 CN claimed
CN-112441984-B Benzimidazole-substituted phenyl n-butyramide-based compound and preparation method thereof 上海特化医药科技有限公司 2024-04-19 CN disclosed
CN-116947843-A 3, 5-disubstituted benzothia (oxa) azole compounds, synthesis and application thereof 西北农林科技大学 2023-10-27 CN disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-1160267-B1 CATALYST FOR OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, METHOD OF OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, AND POLY(OXYFLUOROPHENYLENE) DERIVATIVE JAPAN SCIENCE & TECH CORP (JP) 2004-08-04 EP disclosed
US-6689919-B1 SOLUBLE POLY(OXYFLUOROPHENYLENE) COMPOUNDS WITH EXCELLENT HEAT RESISTANCE, MEMBRANE-FORMABILITY AND CHEMICAL STABILITY JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-02-10 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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF XDH, F7, CYP4X1 THRB 2927/4885MEN1 1244/4885KMT2A 566/4885

“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.