SCHEMBL7223146

SCHEMBL7223146

O=C(O)CC1=C(c2ccccc2)c2ccccc2OC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.43
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
NOTUM Q6P988 1/20 0.40
HRH1 P35367 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ALPL P05186 1/20 0.39
LMNA P02545 2/20 0.39
ABCC4 O15439 1/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.39
HTT P42858 1/20 0.39
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL7224874 0.83 THRB (0.43) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL7232217 0.80 ESR1 (0.44) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL18150269 0.80 THRB (0.41) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL7232014 0.80 THRB (0.40) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL18154544 0.80 THRB (0.40) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL18161998 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EGAALMNATSHR
Hydrochloric Acid SCHEMBL18150270 0.78 THRB (0.39) ALDH1A1KDM4EGAALMNATHRB
SCHEMBL7225366 0.77 THRB (0.38) ALDH1A1KDM4EGAALMNATHRB
SCHEMBL20807322 0.76 MTNR1A (0.39) ALDH1A1KDM4EGAAHRH1MTNR1A
Hydrochloric Acid SCHEMBL18154539 0.76 THRB (0.38) ALDH1A1KDM4EGAAMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6509362-B2 Cholesteryl acyl transferase (ACAT) inhibitors; treatment of hyperlipidaemia and atherosclerosis. MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2003-01-21 US disclosed
US-20020068739-A1 New N-phenylamide and N-pyridylamide derivatives, method of preparing them and pharmaceutical compositions containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2002-06-06 US disclosed
US-6339097-B1 FOR THERAPY OF HYPERLIPIDAEMIA AND ATHEROSCLEROSIS; CHOLESTERYL ACYL TRANSFERASE (ACAT) INHIBITORS MERCK PATENT GMBH (DE) 2002-01-15 US disclosed
CN-1283196-A N-phenylamides and N-pyridylamides, process for their preparation and pharmaceutical compositions containing them MERCK PATENT GMBH (DE) 2001-02-07 CN disclosed
EP-1040109-A1 N-PHENYLAMIDE AND N-PYRIDYLAMIDE DERIVATIVES, METHOD OF PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GmbH (DE) 2000-10-04 EP disclosed
WO-1999033825-A1 N-PHENYLAMIDE AND N-PYRIDYLAMIDE DERIVATIVES, METHOD OF PREPARING THEM AND PHARMACEUTICAL COMPOSITONS CONTAINING THEM MERCK PATENT GMBH (DE) 1999-07-08 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 (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-20020068739-A1 New N-phenylamide and N-pyridylamide derivatives, method of preparing them and pharmaceutical compositions containing them ACAT2, LCAT, ACAT1 AKR1B1 244/4885ALDH1A1 636/4885KDM4E 1503/4885

“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.