SCHEMBL4253248

SCHEMBL4253248

CC(C(=O)O)c1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccc(O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.48
PTGS2 P35354 11/20 0.40
CYP2C9 P11712 5/20 0.39
APP P05067 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS1 P23219 10/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
AKR1C3 P42330 2/20 0.38
CXCR1 P25024 2/20 0.38
CXCR2 P25025 2/20 0.38
ALB P02768 1/20 0.38
ALOX5 P09917 1/20 0.38
RARB P10826 1/20 0.38
ADRB3 P13945 1/20 0.38
NFKB1 P19838 1/20 0.38

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
Gsk-232802 SCHEMBL3467757 0.83 ESR1 (0.55) ESR1KDM4EALDH1A1RARBTSHR
SCHEMBL3468408 0.82 ESR1 (0.56) ESR1PTGS2CYP2C9CYP3A4CYP2C19
SCHEMBL3468569 0.80 ESR1 (0.59) ESR1LMNAHPGDESR2
SCHEMBL3075044 0.79 ESR1 (0.50) ESR1LMNAHPGDHTR2AESR2
SCHEMBL3468080 0.79 ESR1 (0.51) ESR1LMNARARBRXRARXRB
SCHEMBL3468554 0.79 ESR1 (0.54) ESR1CYP3A4CYP2C19LMNAALDH1A1
SCHEMBL3468126 0.77 CA2 (0.53) ESR1PTGS1LMNAALDH1A1HPGD
SCHEMBL3467621 0.76 CA1 (0.59) ESR1CYP2C9CYP3A4CYP2C19LMNA
SCHEMBL3468563 0.76 MMP3 (0.47) ESR1LMNAALDH1A1ESR2
SCHEMBL892055 0.75 PTGS2 (0.63) ESR1PTGS2CYP2C9APPCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569601-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
US-20070213348-A1 Chemical Compounds BRITTON JONATHAN E 2007-09-13 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-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 ESR1 3/4885PTGS2 431/4885CYP2C9 1471/4885

“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.