SCHEMBL4740338

SCHEMBL4740338

C=CCC(CC=C)(C(C)=O)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 3/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.37
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GLO1 Q04760 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL283884 0.90 MEN1 (0.46) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL4740322 0.88 MEN1 (0.37) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL3519692 0.86 MEN1 (0.43) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL4424463 0.85 MEN1 (0.42) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL526722 0.84 MEN1 (0.39) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL3147056 0.84 MEN1 (0.39) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL28559339 0.83 MEN1 (0.44) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL6285895 0.82 MEN1 (0.41) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL6451149 0.81 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL12933672 0.81 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117222636-A Deuterated compounds as CDK4/6 inhibitors 甘李药业股份有限公司 2023-12-12 CN disclosed
WO-2022218247-A1 DEUTERATED COMPOUND AS CDK4/6 INHIBITOR 甘李药业股份有限公司 2022-10-20 WO disclosed
US-20170259099-A1 SILICON-CONTAINING ORGANIC ACID DERIVATIVES AS ENVIRONMENTALLY FRIENDLY AFFF EXTINGUISHING AGENTS UNIVERSITÄT ZU KÖLN (DE) 2017-09-14 US disclosed
US-9701704-B2 Catalysts for (E)-selective olefin metathesis CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-07-11 US disclosed
US-20170022231-A1 CATALYSTS FOR (E)-SELECTIVE OLEFIN METATHESIS CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-01-26 US disclosed
US-8361922-B2 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins MATERIA, INC. (US) 2013-01-29 US disclosed
US-20120123133-A1 ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-05-17 US disclosed
US-6291068-B1 CORES WITH COATING LAYER, AMMONIUM POLYPHOSPHATE AND THERMOSETTING RESIN, MELAMINE MONOMER OR SURFACE TREATED LAYER CHISSO CORPORATION (JP) 2001-09-18 US disclosed
EP-0924166-A1 THERMOPLASTIC-COATED AMMONIUM POLYPHOSPHATE AND PROCESS FOR THE PREPARATION THEREOF CHISSO CORPORATION (JP) 1999-06-23 EP disclosed
US-4245122-A USING TRICAPRYLMETHYLAMMONIUM CHLORIDE AS A PHASE TRANSFER AGENT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-01-13 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-20170022231-A1 CATALYSTS FOR (E)-SELECTIVE OLEFIN METATHESIS COASY, FDFT1, SQLE MEN1 592/4885KMT2A 1784/4885ALDH1A1 1299/4885
US-20120123133-A1 ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS ORC3, OXER1, CBR3 MEN1 1476/4885KMT2A 2953/4885ALDH1A1 2951/4885

“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.