SCHEMBL5124541

SCHEMBL5124541

Oc1ccc(C2=C(c3ccccc3)COc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.54
ESR2 Q92731 9/20 0.54
KMT2A Q03164 2/20 0.50
PTGS2 P35354 6/20 0.47
PTGS1 P23219 4/20 0.47
MEN1 O00255 1/20 0.43
MIF P14174 1/20 0.43
ACHE P22303 1/20 0.43
MAOB P27338 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP3 P08254 1/20 0.42
BCL2L1 Q07817 1/20 0.42
ABCB11 O95342 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MT-CO2 P00403 1/20 0.42
HTR1A P08908 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
MC4R P32245 1/20 0.42

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
SCHEMBL2564011 0.88 ESR1 (0.58) ESR1ESR2KMT2APTGS2PTGS1
SCHEMBL8934596 0.88 ESR1 (0.58) ESR1ESR2KMT2APTGS2PTGS1
SCHEMBL5549767 0.80 KMT2A (0.79) KMT2APTGS2PTGS1MEN1ABCB11
SCHEMBL5545944 0.80 KMT2A (0.79) KMT2APTGS2PTGS1MEN1ABCB11
SCHEMBL22536183 0.80 ESR1 (0.61) ESR1ESR2PTGS1
SCHEMBL10076989 0.80 ESR1 (0.47) ESR1ESR2KMT2APTGS2PTGS1
SCHEMBL5116884 0.78 ESR1 (0.70) ESR1ESR2KMT2APTGS1
SCHEMBL5116888 0.78 ESR1 (0.70) ESR1ESR2KMT2APTGS1
SCHEMBL2571864 0.78 ESR1 (0.48) ESR1ESR2MIF
SCHEMBL7057285 0.78 KMT2A (0.44) ESR1ESR2KMT2APTGS1MEN1

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 10 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
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 (3 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 2/4885KMT2A 1470/4885
US-20030105148-A1 Selective estrogen receptor modulators ESR1, GPER1, PTGIR ESR1 1/4885ESR2 8/4885KMT2A 1080/4885
US-20050267183-A1 Selective estrogen receptor modulators ESR2, ESR1, GPER1 ESR1 2/4885ESR2 1/4885KMT2A 2899/4885

“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.