SCHEMBL5114826

SCHEMBL5114826

COc1ccccc1-c1c(C)c2ccc(F)cc2oc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.51
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
ERAP1 Q9NZ08 1/20 0.46
ALDH1A1 P00352 3/20 0.46
FPR1 P21462 3/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR35 Q9HC97 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
MIF P14174 1/20 0.43
CCNT1 O60563 2/20 0.43
CDK9 P50750 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL5110227 0.87 ALDH1A1 (0.58) PSMB8ALDH1A1FPR1NPC1LMNA
SCHEMBL5114856 0.86 KDM4E (0.51) ESR1ESR2ALDH1A1NPC1LMNA
SCHEMBL5121157 0.85 KDM4E (0.55) PSMB8ALDH1A1TSHRNPC1LMNA
SCHEMBL14160779 0.83 ALDH1A1 (0.59) PSMB8ESR1ALDH1A1FPR1TSHR
SCHEMBL5122528 0.81 MAPT (0.55) PSMB8ALDH1A1FPR1TSHRNPC1
SCHEMBL14307629 0.78 NPC1 (0.73) ESR1ERAP1ALDH1A1NPC1LMNA
SCHEMBL5116223 0.76 KDM4E (0.50) ESR1ESR2ALDH1A1FPR1NPC1
SCHEMBL5111604 0.76 KDM4E (0.60) ESR1ESR2ALDH1A1NPC1LMNA
SCHEMBL5110923 0.75 ESR1 (0.67) ESR1ESR2ERAP1NPC1MAOB
SCHEMBL5115894 0.74 KDM4E (0.52) ALDH1A1TSHRNPC1LMNASMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1569939-A1 NOVEL HETEROATOM CONTAINING TETRACYCLIC DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2005-09-07 EP 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 PSMB8 1569/4885ESR1 4/4885ESR2 2/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR PSMB8 1569/4885ESR1 4/4885ESR2 2/4885

“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.