SCHEMBL6074110

SCHEMBL6074110

CC/C(=C(\c1ccccc1)c1ccc(/C=C/c2nnn[nH]2)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.55
ESR2 Q92731 5/20 0.55
PGR P06401 2/20 0.55
CYP19A1 P11511 1/20 0.48

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
SCHEMBL6074113 1.00 ESR1 (0.55) ESR1ESR2PGRCYP19A1
SCHEMBL2457562 0.76 KMT2A (0.47) CYP19A1
SCHEMBL2457565 0.76 KMT2A (0.47) CYP19A1
SCHEMBL6074715 0.74 ESR1 (0.54) ESR1ESR2PGRCYP19A1
SCHEMBL6074718 0.74 ESR1 (0.54) ESR1ESR2PGRCYP19A1
SCHEMBL3271011 0.73 ESR1 (0.67) ESR1ESR2PGRCYP19A1
SCHEMBL3271005 0.73 ESR1 (0.67) ESR1ESR2PGRCYP19A1
SCHEMBL6904602 0.72 MEN1 (0.31)
SCHEMBL23868448 0.72 ESR1 (0.69) ESR1ESR2PGRCYP19A1
SCHEMBL667262 0.72 ESR1 (1.00) ESR1ESR2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045540-B2 Selective estrogen receptor modulators BRISTOL MEYERS SQUIBB COMPANY (US) 2006-05-16 US claimed
US-20050267183-A1 Selective estrogen receptor modulators KALTENBACH ROBERT F 2005-12-01 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-7323587-B2 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-29 US disclosed
US-7045540-B2 Selective estrogen receptor modulators BRISTOL MEYERS SQUIBB COMPANY (US) 2006-05-16 US disclosed
US-7045540-B2 Selective estrogen receptor modulators BRISTOL MEYERS SQUIBB COMPANY (US) 2006-05-16 US disclosed
US-20050267183-A1 Selective estrogen receptor modulators KALTENBACH ROBERT F 2005-12-01 US disclosed
US-20050267183-A1 Selective estrogen receptor modulators KALTENBACH ROBERT F 2005-12-01 US disclosed
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 (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-20030105148-A1 Selective estrogen receptor modulators ESR1, GPER1, PTGIR ESR1 1/4885ESR2 8/4885PGR 9/4885
US-20050267183-A1 Selective estrogen receptor modulators ESR2, ESR1, GPER1 ESR1 2/4885ESR2 1/4885PGR 18/4885

“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.