SCHEMBL3468096

SCHEMBL3468096

COC(=O)CCc1ccc(C(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.63
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPT P10636 5/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
LMNA P02545 3/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
POLB P06746 1/20 0.55
VNN1 O95497 1/20 0.54
MAPK1 P28482 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HPGD P15428 1/20 0.53
ACHE P22303 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL1445627 0.92 F2RL1 (0.73) F2RL1MAPTL3MBTL1LMNARAB9A
SCHEMBL2277479 0.87 F2RL1 (0.67) F2RL1MAPTL3MBTL1LMNARAB9A
SCHEMBL11138135 0.85 MAPT (0.62) F2RL1MEN1KMT2AMAPTL3MBTL1
SCHEMBL3469156 0.85 MAPT (0.50) F2RL1MEN1KMT2AMAPTLMNA
SCHEMBL11629832 0.85 SRD5A2 (0.56) KMT2AMAPTL3MBTL1RAB9ANPC1
SCHEMBL7760724 0.84 F2RL1 (0.63) F2RL1MEN1KMT2AMAPTL3MBTL1
SCHEMBL11135481 0.84 LOXL2 (0.57) F2RL1MEN1KMT2AMAPTL3MBTL1
SCHEMBL9503760 0.83 MAPT (0.61) F2RL1MEN1KMT2AMAPTL3MBTL1
SCHEMBL22922181 0.82 CYP4F2 (0.59) F2RL1KMT2AMAPTLMNAALDH1A1
SCHEMBL1747202 0.82 SMN1; SMN2 (0.67) KMT2AMAPTL3MBTL1RAB9ANPC1

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 9 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-7569601-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
US-7560589-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-20070213348-A1 Chemical Compounds BRITTON JONATHAN E 2007-09-13 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 (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-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor ESR2, GPER1, ESRRG F2RL1 411/4885MEN1 4611/4885KMT2A 3196/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG F2RL1 411/4885MEN1 4611/4885KMT2A 3196/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 F2RL1 606/4885MEN1 2963/4885KMT2A 3133/4885

“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.