SCHEMBL5111169

SCHEMBL5111169

O=c1oc2cc(O)ccc2c(CCO)c1-c1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ESR1 P03372 6/20 0.53
▸ ESR2 Q92731 4/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ ERAP1 Q9NZ08 2/20 0.49
▸ NQO1 P15559 1/20 0.48
▸ MAOA P21397 2/20 0.47
▸ PKLR P30613 1/20 0.47
▸ HSD17B3 P37058 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ NOX4 Q9NPH5 1/20 0.46
▸ CA12 O43570 1/20 0.46

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
SCHEMBL5111890 0.92 ESR1 (0.58) HPGDMEN1KMT2AESR1ESR2
SCHEMBL5116838 0.87 MEN1 (0.51) TP53HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL27643511 0.85 ESR1 (0.58) HPGDMEN1KMT2AESR1ESR2
SCHEMBL5123944 0.84 ESR1 (0.56) HPGDMEN1KMT2AESR1ESR2
SCHEMBL1357283 0.82 ESR1 (0.48) HPGDESR1ESR2NQO1PKLR
SCHEMBL12137353 0.81 ESR1 (0.47) HPGDESR1ESR2NQO1PKLR
SCHEMBL14277816 0.77 ESR1 (0.60) HPGDMEN1KMT2AESR1ESR2
SCHEMBL1357425 0.77 ESR1 (0.46) ESR1ESR2HSD17B3
SCHEMBL5113467 0.77 NQO1 (0.49) MEN1KMT2ASMN1; SMN2ESR1ESR2
SCHEMBL27594102 0.75 MAOA (0.50) TP53HPGDMEN1ALOX15KMT2A

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
CN-101450950-A Tetracyclic heterocompounds as estrogen receptor modulators ORTHO MCNEIL PHARM INC (US) 2009-06-10 — — CN disclosed
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 — — US disclosed
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 — — US disclosed
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 — — US disclosed
US-7105679-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators KANOJIA RAMESH M 2006-09-12 — — US disclosed
EP-1467998-B1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO MCNEIL PHARM INC (US) 2006-03-29 — — EP disclosed
CN-1745085-A Novel tetracyclic heteroatom containing derivatives as selective estrogen receptor modulators ORTHO MCNEIL PHARM INC (US) 2006-03-08 — — CN disclosed
EP-1569939-A1 NOVEL HETEROATOM CONTAINING TETRACYCLIC DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2005-09-07 — — EP disclosed
CN-1620457-A tetracyclic heterocyclic compounds as estrogen receptor modulators ORTHO MCNEIL PHARM INC (US) 2005-05-25 — — CN disclosed
US-20040259915-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators KANOJIA RAMESH M (US) 2004-12-23 — — US disclosed
EP-1467998-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-10-20 — — EP disclosed
WO-2004050660-A1 NOVEL HETEROATOM CONTAINING TETRACYCLIC DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2004-06-17 — — WO disclosed
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-20 — — US disclosed
WO-2003053977-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-07-03 — — 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-20040259915-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR TP53 214/4885HPGD 386/4885MEN1 3109/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR TP53 214/4885HPGD 386/4885MEN1 3109/4885

“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.

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