SCHEMBL4252393

SCHEMBL4252393

CC1(C)CCC(=C(c2ccc(O)cc2)c2ccc(C=C(C(=O)O)C(C)(C)C)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.38
ESR2 Q92731 6/20 0.37
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXRA P19793 5/20 0.36
RARB P10826 5/20 0.36
RARA P10276 4/20 0.33
RARG P13631 4/20 0.33
KDM4E B2RXH2 2/20 0.33
CISD1 Q9NZ45 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ESRRG P62508 1/20 0.33
SLC16A3 O15427 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
SLC16A1 P53985 1/20 0.33
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL4259426 0.88 ESR1 (0.48) ESR1ESR2PTGS2ALDH1A1MEN1
SCHEMBL4257439 0.86 ESR1 (0.50) ESR1ESR2PTGS2ALDH1A1MEN1
SCHEMBL4258955 0.86 ESR1 (0.50) ESR1ESR2PTGS2ALDH1A1MEN1
SCHEMBL4260688 0.84 ESR1 (0.38) ESR1ESR2PTGS2ALDH1A1MEN1
SCHEMBL4252388 0.79 ESR1 (0.40) ESR1ESR2ALDH1A1KMT2ARXRA
SCHEMBL8170616 0.79 ALDH1A1 (0.51) ESR1ESR2PTGS2ALDH1A1MEN1
SCHEMBL3469105 0.78 RXRA (0.55) ESR1MEN1KMT2ARXRARARB
SCHEMBL3468450 0.78 ESR1 (0.55) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL3468448 0.78 ESR1 (0.55) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL4262523 0.76 ESR1 (0.40) ESR1ESR2ALDH1A1MEN1KMT2A

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 3/4885ESR2 2/4885PTGS2 431/4885

“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.