SCHEMBL3468140

SCHEMBL3468140

COc1ccc(C(=O)c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.68
POLB P06746 2/20 0.64
KDM4E B2RXH2 2/20 0.64
ACHE P22303 1/20 0.60
PTGS1 P23219 1/20 0.60
AKR1C3 P42330 1/20 0.60
AKR1C2 P52895 1/20 0.60
MAPT P10636 2/20 0.59
PKM P14618 1/20 0.58
RAB9A P51151 2/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55

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
SCHEMBL240822 0.91 KDM4E (0.74) POLBKDM4EPTGS1AKR1C3AKR1C2
Hydrogen Sulfide SCHEMBL29062416 0.89 KDM4E (0.72) POLBKDM4EPTGS1AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL2022863 0.89 KDM4E (0.72) POLBKDM4EPTGS1AKR1C3AKR1C2
SCHEMBL27952524 0.89 KDM4E (0.72) POLBKDM4EPTGS1AKR1C3AKR1C2
SCHEMBL9468432 0.85 KDM4E (0.68) POLBKDM4EPTGS1AKR1C3AKR1C2
SCHEMBL4217510 0.85 KDM4E (0.68) POLBKDM4EPTGS1AKR1C3AKR1C2
Dimethylamine SCHEMBL1630099 0.85 KDM4E (0.73) POLBKDM4EPTGS1AKR1C3AKR1C2
SCHEMBL9427982 0.84 CYP19A1 (0.57) SRD5A2ACHEPTGS1AKR1C3AKR1C2
SCHEMBL28232519 0.83 RAB9A (0.63) SRD5A2POLBACHEMAPTRAB9A
SCHEMBL9418310 0.82 RXFP1 (0.79) MAPTRAB9AMEN1LMNAMAPK1

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-7799828-B2 Cycloalkylidene compounds as modulators of estrogen receptor GLAXOSMITHKLINE LLC (US) 2010-09-21 US disclosed
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor GLAXOSMITHKLINE LLC 2009-10-08 US disclosed
US-7560589-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
EP-1667955-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF THE ESTROGEN RECEPTOR SmithKline Beecham Corporation (US) 2006-06-14 EP disclosed
WO-2005012220-A9 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORP (US) 2005-05-19 WO disclosed
WO-2005012220-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 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-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor ESR2, GPER1, ESRRG SRD5A2 159/4885POLB 4125/4885KDM4E 1543/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG SRD5A2 159/4885POLB 4125/4885KDM4E 1543/4885

“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.