SCHEMBL4940987

SCHEMBL4940987

COc1cc(C(=O)Cl)cc2c1OCO2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.54
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
ESR1 P03372 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
EDNRB P24530 3/20 0.45
EDNRA P25101 3/20 0.45
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ACHE P22303 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
SCHEMBL11362484 0.88 PLK1 (0.69) PLK1ALDH1A1SMN1; SMN2EDNRBEDNRA
SCHEMBL4938172 0.86 PLK1 (0.55) PLK1ALDH1A1CYP3A4SMN1; SMN2ESR1
SCHEMBL4712109 0.86 PLK1 (0.55) PLK1ALDH1A1CYP3A4SMN1; SMN2ESR1
SCHEMBL1464754 0.84 PLK1 (0.57) PLK1ALDH1A1CYP3A4SMN1; SMN2ESR1
SCHEMBL5743163 0.82 CYP3A4 (0.55) PLK1ALDH1A1CYP3A4SMN1; SMN2ESR1
SCHEMBL10608873 0.80 KMT2A (0.62) PLK1ALDH1A1CYP3A4SMN1; SMN2ESR1
SCHEMBL14040918 0.76 MAPT (0.56) PLK1ALDH1A1CYP3A4SMN1; SMN2ESR1
SCHEMBL10610633 0.76 MEN1 (0.61) PLK1ALDH1A1CYP3A4SMN1; SMN2ESR1
SCHEMBL14337774 0.75 CYP3A4 (0.57) ALDH1A1CYP3A4SMN1; SMN2KMT2AMEN1
SCHEMBL8144226 0.75 CYP3A4 (0.57) ALDH1A1CYP3A4SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524744-B2 preventing and/or treating the diseases related to the plaque-activating factors, especially in anti-inflammation and immunization, more especially in the treatment of the acute or chronic inflammation, such as, osteoarthritis, oarthritis deformans, etc. INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-09-03 US disclosed
US-20080221106-A1 Arylamine Ketones, Their Preparation Methods, The Pharmaceutical Composition Containing Them And Their Use INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2008-09-11 US disclosed
EP-1783115-A1 ARYLAMINE KETONES, THEIR PREPARATION METHODS, THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2007-05-09 EP 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-20080221106-A1 Arylamine Ketones, Their Preparation Methods, The Pharmaceutical Composition Containing Them And Their Use AHR, KYNU, AADAC PLK1 4648/4885ALDH1A1 854/4885CYP3A4 913/4885

“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.