SCHEMBL4886191

SCHEMBL4886191

CCC(=Cc1cccc(C(CC)=C(Br)Br)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.53
PPARG P37231 1/20 0.40
TBXAS1 P24557 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
UNG P13051 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
AKR1C3 P42330 2/20 0.36
ESR1 P03372 1/20 0.35
PGR P06401 1/20 0.35
ESR2 Q92731 1/20 0.35
AKR1C1 Q04828 1/20 0.35

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
SCHEMBL4895021 0.82 EPHX2 (0.54) EPHX2PPARGTBXAS1CYP3A4CYP2C9
SCHEMBL4665668 0.79 ESR1 (0.55) ALDH1A1ESR1PGRESR2KDM4E
SCHEMBL4665675 0.79 ESR1 (0.55) ALDH1A1ESR1PGRESR2KDM4E
SCHEMBL12499782 0.78 AKR1C3 (0.50) EPHX2TBXAS1CYP3A4CYP2C9MEN1
SCHEMBL12499785 0.78 AKR1C3 (0.50) EPHX2TBXAS1CYP3A4CYP2C9MEN1
SCHEMBL1579813 0.76 TBXAS1 (0.48) EPHX2PPARGTBXAS1CYP3A4CYP2C9
SCHEMBL14032639 0.76 EPHX2 (0.47) EPHX2TBXAS1CYP3A4CYP2C9MEN1
SCHEMBL20184163 0.76 KDM4E (0.58) EPHX2TBXAS1CYP3A4CYP2C9MEN1
SCHEMBL2391183 0.76 KDM4E (0.58) EPHX2TBXAS1CYP3A4CYP2C9MEN1
SCHEMBL6338925 0.76 KDM4E (0.58) EPHX2TBXAS1CYP3A4CYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255078-A1 Triphenylethylene Compounds Useful as Selective Estrogen Receptor Modulators KATAMREDDY SUBBA REDDY 2008-10-16 US 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-20080255078-A1 Triphenylethylene Compounds Useful as Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG EPHX2 2091/4885PPARG 63/4885TBXAS1 226/4885

“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.