SCHEMBL6438798

SCHEMBL6438798

NC(=O)C=Cc1ccc(C2=C(c3ccccc3)CCCc3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.47
ESR2 Q92731 5/20 0.47
HDAC2 Q92769 1/20 0.39
MIF P14174 2/20 0.39
MAPT P10636 1/20 0.39
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
BACE1 P56817 1/20 0.38
NOTUM Q6P988 1/20 0.36

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
SCHEMBL5110186 0.90 ESR1 (0.57) ESR1ESR2HDAC2MIFMAPT
SCHEMBL5110464 0.90 ESR1 (0.57) ESR1ESR2HDAC2MIFMAPT
SCHEMBL14289690 0.85 ESR1 (0.48) ESR1ESR2HDAC2AKT1AKT2
SCHEMBL5109423 0.85 ESR1 (0.66) ESR1ESR2MIFBACE1
SCHEMBL5109426 0.85 ESR1 (0.66) ESR1ESR2MIFBACE1
SCHEMBL5116818 0.83 ESR1 (0.60) ESR1ESR2HDAC2MAPTBACE1
SCHEMBL5124386 0.83 ESR1 (0.60) ESR1ESR2HDAC2MAPTBACE1
SCHEMBL6441021 0.82 HDAC1 (0.45) ESR1ESR2HDAC2
SCHEMBL5114409 0.82 HDAC1 (0.45) ESR1ESR2HDAC2
SCHEMBL6437655 0.82 ESR1 (0.43) ESR1ESR2HDAC2MIFMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927224-B2 Selective estrogen receptor modulators BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-09 US claimed
US-20030105148-A1 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-05 US claimed
US-6927224-B2 Selective estrogen receptor modulators BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-09 US disclosed
EP-1417169-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP disclosed
US-20030105148-A1 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-05 US disclosed
WO-2003016270-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-02-27 WO 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 8/4885HDAC2 2368/4885

“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.