SCHEMBL5124512

SCHEMBL5124512

CC/C(=C(\c1ccccc1)c1ccc(C=O)cc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.68
ESR2 Q92731 5/20 0.68
PGR P06401 2/20 0.68
CYP19A1 P11511 1/20 0.64
PTGS2 P35354 4/20 0.59

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
SCHEMBL5124515 1.00 ESR1 (0.68) ESR1ESR2PGRCYP19A1PTGS2
SCHEMBL5124519 1.00 ESR1 (0.68) ESR1ESR2PGRCYP19A1PTGS2
SCHEMBL5069462 0.94 ESR1 (0.76) ESR1ESR2PGRCYP19A1PTGS2
SCHEMBL5069452 0.94 ESR1 (0.76) ESR1ESR2PGRCYP19A1PTGS2
SCHEMBL5069457 0.94 ESR1 (0.76) ESR1ESR2PGRCYP19A1PTGS2
SCHEMBL6672982 0.92 ESR1 (0.59) ESR1ESR2PGRCYP19A1PTGS2
SCHEMBL6672979 0.92 ESR1 (0.59) ESR1ESR2PGRCYP19A1PTGS2
SCHEMBL6672984 0.92 ESR1 (0.59) ESR1ESR2PGRCYP19A1PTGS2
SCHEMBL5069489 0.90 PTGS2 (0.66) ESR1ESR2PGRCYP19A1PTGS2
SCHEMBL5069485 0.90 PTGS2 (0.66) ESR1ESR2PGRCYP19A1PTGS2

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 14 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 disclosed
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-20050267183-A1 Selective estrogen receptor modulators KALTENBACH ROBERT F 2005-12-01 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
US-20030073671-A1 Non-steroidal ligands for the estrogen receptor WILLSON TIMOTHY MARK (US) 2003-04-17 US disclosed
US-20010053774-A1 Non-steroidal ligands for the estrogen receptor GLAXO WELLCOME INC.. 2001-12-20 US disclosed
US-6207716-B1 FOR PROPHYLAXIS AND THERAPY OF OSTEOPOROSIS, ARTHRITIS, BREAST CANCER, CARDIOVASCULAR DISEASE GLAXO WELLCOME INC. 2001-03-27 US disclosed
US-5877219-A Non-steroidal ligands for the estrogen receptor GLAXO WELLCOMEINC. (US) 1999-03-02 US disclosed
WO-1999007668-A1 NON-STEROIDAL LIGANDS FOR THE ESTROGEN RECEPTOR GLAXO WELLCOME INC. (US) 1999-02-18 WO disclosed
US-5681835-A USEFUL FOR TREATING OSTEOPOROSIS GLAXO WELLCOME INC. (US) 1997-10-28 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 (5 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 2/4885PGR 13/4885
US-20030105148-A1 Selective estrogen receptor modulators ESR1, GPER1, PTGIR ESR1 1/4885ESR2 8/4885PGR 9/4885
US-20010053774-A1 Non-steroidal ligands for the estrogen receptor ESRRB, ESR2, ESRRA ESR1 6/4885ESR2 2/4885PGR 12/4885
US-20030073671-A1 Non-steroidal ligands for the estrogen receptor ESRRB, ESR2, ESRRA ESR1 6/4885ESR2 2/4885PGR 12/4885
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.