SCHEMBL5114697

SCHEMBL5114697

COc1cc(OC)c2c(C)c(C(C)=O)c(=O)oc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
HPGD P15428 4/20 0.64
KDM4E B2RXH2 3/20 0.64
GAA P10253 3/20 0.64
LMNA P02545 2/20 0.64
HSD17B10 Q99714 2/20 0.64
MAPT P10636 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
GLA P06280 1/20 0.64
CCR4 P51679 2/20 0.55
TDP1 Q9NUW8 1/20 0.54
TP53 P04637 1/20 0.50
USP2 O75604 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ABCB1 P08183 2/20 0.46
MAOA P21397 2/20 0.46
ABCG2 Q9UNQ0 2/20 0.45

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
SCHEMBL8745805 0.76 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL11748940 0.75 EDNRA (0.64) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL8745812 0.74 ALDH1A1 (0.67) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL5112577 0.73 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL7019669 0.71 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL27928274 0.71 CCR4 (1.00) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL2029772 0.71 CYP3A4 (0.78) KDM4ELMNAMAPTKMT2AUSP2
Hydrochloric Acid SCHEMBL27827334 0.70 CCR4 (0.98) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL8833383 0.70 XDH (0.70) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL67224 0.70 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EGAALMNA

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 ALDH1A1 2801/4885HPGD 386/4885KDM4E 2868/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR ALDH1A1 2801/4885HPGD 386/4885KDM4E 2868/4885

“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.