SCHEMBL4935432

SCHEMBL4935432

CCOc1cc(C=CC(C)=O)ccc1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 2/20 0.78
▸ APP P05067 3/20 0.70
▸ ALDH1A1 P00352 2/20 0.65
▸ PTGS1 P23219 2/20 0.61
▸ IAPP P10997 1/20 0.61
▸ ABCB1 P08183 2/20 0.59
▸ ABL1 P00519 1/20 0.59
▸ BCR P11274 1/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ MAOB P27338 2/20 0.58
▸ TRPA1 O75762 1/20 0.58
▸ FDPS P14324 1/20 0.57
▸ ALPI P09923 2/20 0.57
▸ ALPG P10696 2/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ PDE4A P27815 1/20 0.56
▸ PDE4B Q07343 1/20 0.56
▸ PDE4C Q08493 1/20 0.56
▸ PDE4D Q08499 1/20 0.56

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
SCHEMBL4935429 1.00 TOP2A (0.78) TOP2AAPPALDH1A1PTGS1IAPP
SCHEMBL4835689 0.88 TOP2A (0.78) TOP2AAPPALDH1A1ABCB1ABL1
Ethyl Curcumin SCHEMBL8965258 0.88 TOP2A (1.00) TOP2AAPPALDH1A1PTGS1ABCB1
SCHEMBL4621488 0.88 TOP2A (0.78) TOP2AAPPALDH1A1ABCB1ABL1
Ethyl Curcumin SCHEMBL8965263 0.88 TOP2A (1.00) TOP2AAPPALDH1A1PTGS1ABCB1
SCHEMBL27720466 0.88 IAPP (0.61) TOP2AAPPPTGS1IAPPKMT2A
SCHEMBL31380860 0.88 TOP2A (0.78) TOP2AAPPALDH1A1ABCB1ABL1
SCHEMBL27211484 0.87 TOP2A (0.86) TOP2AAPPALDH1A1PTGS1IAPP
SCHEMBL14253556 0.85 MAOB (0.80) TOP2AAPPALDH1A1ABCB1ABL1
SCHEMBL7245921 0.85 TOP2A (0.79) TOP2AAPPALDH1A1PTGS1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1783115-B1 ARYLAMINE KETONES, THEIR PREPARATION METHODS, THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE INST MATERIA MEDICA CAMS (CN) 2016-07-13 — — EP disclosed
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
CN-101146772-A Arylamine ketone compound, synthesis method thereof, pharmaceutical composition containing arylamine ketone compound and application of arylamine ketone compound INST MATERIA MEDICA CAMS (CN) 2008-03-19 — — CN 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 TOP2A 3950/4885APP 245/4885ALDH1A1 854/4885

“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.

Send feedback