SCHEMBL5111189

SCHEMBL5111189

COc1cccc(C2=C(c3ccc(/C=C/C(=O)O)cc3)c3ccccc3CCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.53
ESR2 Q92731 2/20 0.52
ATM Q13315 2/20 0.43
THRB P10828 1/20 0.43
POLB P06746 2/20 0.43
MAOB P27338 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL5111194 1.00 ESR1 (0.53) ESR1ESR2ATMTHRBPOLB
SCHEMBL5117765 0.90 ESR1 (0.57) ESR1ESR2ATMTHRBMAOB
SCHEMBL5117772 0.90 ESR1 (0.57) ESR1ESR2ATMTHRBMAOB
SCHEMBL5110186 0.86 ESR1 (0.57) ESR1ESR2MAPTHDAC3HDAC1
SCHEMBL5110464 0.86 ESR1 (0.57) ESR1ESR2MAPTHDAC3HDAC1
SCHEMBL5123048 0.86 ESR1 (0.53) ESR1ESR2
SCHEMBL5123045 0.86 ESR1 (0.53) ESR1ESR2
SCHEMBL7624688 0.82 ESR1 (0.62) ESR1ESR2ATMTHRBMAPT
SCHEMBL7624694 0.82 ESR1 (0.62) ESR1ESR2ATMTHRBMAPT
SCHEMBL14289690 0.81 ESR1 (0.48) ESR1ESR2

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 18 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 claimed
US-20050245602-A1 Selective estrogen receptor modulators KALTENBACH ROBERT F 2005-11-03 US claimed
EP-1417169-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP claimed
US-20030105148-A1 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-05 US claimed
WO-2003016270-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-02-27 WO 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-20050245602-A1 Selective estrogen receptor modulators KALTENBACH ROBERT F 2005-11-03 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-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
EP-1417169-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP disclosed
WO-2003016270-A3 SELECTIVE ESTROGEN RECEPTOR MODULATORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-11-06 WO disclosed
US-20030105148-A1 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-05 US 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
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-20050245602-A1 Selective estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885ESR2 2/4885ATM 1216/4885
US-20030105148-A1 Selective estrogen receptor modulators ESR1, GPER1, PTGIR ESR1 1/4885ESR2 8/4885ATM 1103/4885

“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.