SCHEMBL5123048

SCHEMBL5123048

O=C(O)C=Cc1ccc(C2=C(c3cccc(O)c3)CCCc3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.53
ESR2 Q92731 7/20 0.53
BACE1 P56817 2/20 0.40
MIF P14174 2/20 0.40

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
SCHEMBL5123045 1.00 ESR1 (0.53) ESR1ESR2BACE1MIF
SCHEMBL5116896 0.92 ESR1 (0.54) ESR1ESR2BACE1
SCHEMBL5116893 0.92 ESR1 (0.54) ESR1ESR2BACE1
SCHEMBL5110464 0.90 ESR1 (0.57) ESR1ESR2MIF
SCHEMBL5110186 0.90 ESR1 (0.57) ESR1ESR2MIF
SCHEMBL5109423 0.89 ESR1 (0.66) ESR1ESR2BACE1MIF
SCHEMBL5109426 0.89 ESR1 (0.66) ESR1ESR2BACE1MIF
SCHEMBL5125836 0.87 ESR1 (0.62) ESR1ESR2BACE1
SCHEMBL5125832 0.87 ESR1 (0.62) ESR1ESR2BACE1
SCHEMBL5111189 0.86 ESR1 (0.53) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323587-B2 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-29 US claimed
US-20050245602-A1 Selective estrogen receptor modulators KALTENBACH ROBERT F 2005-11-03 US claimed
US-20030105148-A1 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-05 US claimed
US-7323587-B2 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-29 US disclosed
US-20050245602-A1 Selective estrogen receptor modulators KALTENBACH ROBERT F 2005-11-03 US disclosed
US-6927224-B2 Selective estrogen receptor modulators BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-09 US disclosed
US-20030105148-A1 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-05 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 (2 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-20050245602-A1 Selective estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885ESR2 2/4885BACE1 1789/4885
US-20030105148-A1 Selective estrogen receptor modulators ESR1, GPER1, PTGIR ESR1 1/4885ESR2 8/4885BACE1 4817/4885

“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.