SCHEMBL9320698

SCHEMBL9320698

CC(=O)COc1ccc(O)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.50
NR5A1 Q13285 1/20 0.47
CYP19A1 P11511 1/20 0.46
ESR1 P03372 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL2955123 0.91 HPGD (0.50) ALDH1A1MAPT
SCHEMBL134271 0.88 ESR1 (0.53) ESR1ALDH1A1
SCHEMBL10858118 0.83 LMNA (0.58) ALDH1A1MAPT
SCHEMBL8234368 0.83 MAPT (0.59) ALDH1A1MAPT
SCHEMBL14039496 0.82 SMN1; SMN2 (0.62) CYP19A1ESR1ALDH1A1
SCHEMBL17775077 0.82 KDM4E (0.49) ALDH1A1MAPT
SCHEMBL24261132 0.81 HPGD (0.44) ALDH1A1MAPT
SCHEMBL12909783 0.81 LMNA (0.57) ESR1ALDH1A1MAPT
SCHEMBL3370944 0.81 PTGS2 (0.56) ALDH1A1MAPT
SCHEMBL12909782 0.81 L3MBTL1 (0.68) ALDH1A1MAPT

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-105874062-A Glyphosate-n-acetyltransferase (glyat) sequences and methods of use 先锋国际良种公司 2016-08-17 CN disclosed
EP-2184277-B1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF INST PHARM & TOXICOLOGY AMMS (CN) 2015-07-01 EP disclosed
US-8759355-B2 Aryl pyrimidine derivatives, preparation methods and pharmaceutical uses thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. (CN) 2014-06-24 US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-20110009427-A1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF INSTITUE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2011-01-13 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090099267-A1 POLYMERS, COMPOSITIONS AND METHODS OF MAKING THE SAME UNIVERSITY OF MASSACHUSETTS (US) 2009-04-16 US disclosed
EP-0427480-B1 2-Hydroxy-3-phenoxypropylamino compounds ICI PLC (GB) 1994-01-12 EP disclosed
US-5187190-A PHENOXYPROPANOLAMINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 US disclosed
EP-0427480-A1 2-Hydroxy-3-phenoxypropylamino compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-15 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 (3 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-20110009427-A1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF PPARD, PPARG, PPARA LTA4H 1051/4885NR5A1 52/4885CYP19A1 488/4885
US-20090099267-A1 POLYMERS, COMPOSITIONS AND METHODS OF MAKING THE SAME PARG, PNKP, DCXR LTA4H 1305/4885NR5A1 4743/4885CYP19A1 2017/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 LTA4H 1897/4885NR5A1 56/4885CYP19A1 212/4885

“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.