SCHEMBL3468181

SCHEMBL3468181

O=C(c1ccc(O)cc1)c1ccc(Br)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.50
MAPK1 P28482 1/20 0.48
MAPT P10636 6/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
RAB9A P51151 1/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LIG1 P18858 1/20 0.44

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
SCHEMBL30482609 0.86 ALDH1A1 (0.51) MAPK1MAPTESR1ESR2LMNA
SCHEMBL17755 0.86 ALDH1A1 (0.51) MAPK1MAPTESR1ESR2LMNA
SCHEMBL1758244 0.85 SRD5A2 (0.56) SRD5A2MAPK1MAPTESR1ESR2
SCHEMBL1129207 0.84 MAPT (0.62) SRD5A2MAPK1MAPTLMNAHPGD
SCHEMBL29434771 0.84 MAPT (0.62) SRD5A2MAPK1MAPTLMNAHPGD
SCHEMBL10774999 0.83 MAPT (0.50) SRD5A2MAPK1MAPTESR1ESR2
SCHEMBL610783 0.82 SRD5A2 (0.72) SRD5A2MAPK1MAPTESR1ESR2
SCHEMBL2197547 0.81 ALDH1A1 (0.46) MAPK1MAPTLMNAHPGDRAB9A
SCHEMBL30823770 0.81 MAPT (0.73) MAPK1MAPTLMNAHPGDHTT
SCHEMBL3468717 0.81 MAPT (0.73) MAPK1MAPTLMNAHPGDHTT

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 SRD5A2 159/4885MAPK1 3439/4885MAPT 4523/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG SRD5A2 159/4885MAPK1 3439/4885MAPT 4523/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 SRD5A2 123/4885MAPK1 2497/4885MAPT 3451/4885

“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.