SCHEMBL4772250

SCHEMBL4772250

COc1ccc2c(C)cc(=O)oc2c1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.74
ALDH1A1 P00352 5/20 0.74
HSD17B10 Q99714 3/20 0.74
TSHR P16473 2/20 0.74
HPGD P15428 2/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
MAOA P21397 3/20 0.70
MCL1 Q07820 2/20 0.70
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62
CA13 Q8N1Q1 1/20 0.62
ALPL P05186 5/20 0.61
CYP1A2 P05177 1/20 0.61
LMNA P02545 3/20 0.58
ALPI P09923 2/20 0.58
MAPT P10636 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL9463878 0.85 ALDH1A1 (1.00) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL5321909 0.83 KDM4E (0.72) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL11227397 0.83 HSD17B10 (0.72) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL11432556 0.83 MAOA (1.00) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL15984891 0.83 MCL1 (1.00) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL4096663 0.82 MAOA (0.59) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL11227296 0.82 MCL1 (0.68) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL18232224 0.81 KDM4E (0.70) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL8876358 0.80 KDM4E (0.58) KDM4EALDH1A1HSD17B10TSHRHPGD
Trimethylammonium SCHEMBL9481220 0.80 ALDH1A1 (0.88) KDM4EALDH1A1HSD17B10TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009544-A1 Pharmaceutical Composition Useful as Acetylcholinesterase Inhibitors COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-01-10 US claimed
EP-2001463-B1 A PHARMACEUTICAL COMPOSITION USEFUL AS ACETYL CHOLINESTERASE INHIBITORS COUNCIL SCIENT IND RES (IN) 2013-07-03 EP disclosed
US-20120277297-A1 Pharmaceutical Composition Useful as Acetylcholinesterase Inhibitors COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2012-11-01 US disclosed
US-8188143-B2 Pharmaceutical composition useful as acetylcholinesterase inhibitors COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2012-05-29 US disclosed
EP-2001463-A1 A PHARMACEUTICAL COMPOSITION USEFUL AS ACETYL CHOLINESTERASE INHIBITORS Council of Scientific and Industrial Research (IN) 2008-12-17 EP disclosed
US-20080009544-A1 Pharmaceutical Composition Useful as Acetylcholinesterase Inhibitors COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-01-10 US disclosed
WO-2007107846-A1 A PHARMACEUTICAL COMPOSITION USEFUL AS ACETYL CHOLINESTERASE INHIBITORS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-09-27 WO 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-20080009544-A1 Pharmaceutical Composition Useful as Acetylcholinesterase Inhibitors ACHE, BCHE, CHRNB1 KDM4E 1482/4885ALDH1A1 1025/4885HSD17B10 457/4885
US-20120277297-A1 Pharmaceutical Composition Useful as Acetylcholinesterase Inhibitors ACHE, BCHE, CYP3A7 KDM4E 1461/4885ALDH1A1 547/4885HSD17B10 124/4885

“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.