SCHEMBL6438992

SCHEMBL6438992

O=C(O)C=Cc1ccc(C2=C(c3ccccc3)CCc3cc(O)ccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.60
ESR2 Q92731 13/20 0.60
CYP26A1 O43174 1/20 0.53
BACE1 P56817 1/20 0.48
CA12 O43570 1/20 0.46
AKR1B10 O60218 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
PKM P14618 1/20 0.46
TYR P14679 1/20 0.46
AKR1B1 P15121 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
DPP4 P27487 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL6438989 1.00 ESR1 (0.60) ESR1ESR2CYP26A1BACE1CA12
SCHEMBL7623056 0.95 ESR2 (0.61) ESR1ESR2CYP26A1CA12AKR1B10
SCHEMBL7632234 0.95 ESR2 (0.61) ESR1ESR2CYP26A1CA12AKR1B10
SCHEMBL5125832 0.93 ESR1 (0.62) ESR1ESR2CYP26A1BACE1
SCHEMBL5125836 0.93 ESR1 (0.62) ESR1ESR2CYP26A1BACE1
SCHEMBL7626609 0.91 ESR1 (0.65) ESR1ESR2
SCHEMBL7629536 0.91 ESR1 (0.65) ESR1ESR2
SCHEMBL5124945 0.88 ESR1 (0.59) ESR1ESR2CA12AKR1B10CA1
SCHEMBL5124941 0.88 ESR1 (0.59) ESR1ESR2CA12AKR1B10CA1
SCHEMBL5116896 0.87 ESR1 (0.54) ESR1ESR2CYP26A1BACE1CA12

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-20030105148-A1 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-05 US claimed
EP-0955286-B1 Dihydro- or tetrahydronaphthalene derivatives having (anti-)estrogen activity AVENTIS PHARMA SA (FR) 2002-08-07 EP claimed
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
EP-0955286-B1 Dihydro- or tetrahydronaphthalene derivatives having (anti-)estrogen activity AVENTIS PHARMA SA (FR) 2002-08-07 EP disclosed
US-6005003-A OSTEOPOROSIS TREATMENT HOECHST MARION ROUSSEL (FR) 1999-12-21 US disclosed
EP-0955286-A1 Dihydro- or tetrahydronaphthalene derivatives having (anti-)estrogen activity HOECHST MARION ROUSSEL (FR) 1999-11-10 EP 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-20030105148-A1 Selective estrogen receptor modulators ESR1, GPER1, PTGIR ESR1 1/4885ESR2 8/4885CYP26A1 107/4885

“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.