SCHEMBL5221483

SCHEMBL5221483

CCc1c(-c2ccc(OC(C)=O)cc2)nn(C2CCC2)c1-c1ccc(OC(C)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
CNR2 P34972 2/20 0.36
MERTK Q12866 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CMKLR1 Q99788 5/20 0.35
SRC P12931 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL5218775 0.81 HTT (0.38) BTKKMT2ACNR2MERTK
SCHEMBL5220395 0.80 HSD17B10 (0.42) KMT2AHSD17B10LMNATSHRNFKB1
SCHEMBL5220933 0.79 ESR1 (0.49) KMT2ACNR2MERTKHSD17B10CMKLR1
SCHEMBL5220910 0.79 CMKLR1 (0.35) BTKKMT2AMEN1MERTKHSD17B10
SCHEMBL5216593 0.78 ESR1 (0.50) KMT2ACNR2MERTKHSD17B10CMKLR1
SCHEMBL5217448 0.78 ESR1 (0.50) KMT2ACNR2MERTKHSD17B10CMKLR1
SCHEMBL5218949 0.76 ESR1 (0.47) KMT2ACNR2MERTKHSD17B10CMKLR1
SCHEMBL4029342 0.70 ESR1 (0.69) BTKKMT2AMEN1ATMCMKLR1
SCHEMBL11254239 0.68 CNR1 (0.47) CNR2CMKLR1
SCHEMBL5216933 0.67 SMN1; SMN2 (0.40) BTKATMHSD17B10CMKLR1SRC

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-RE39708-E1 Estrogen receptor modulators CHIRON CORPORATION (US) 2007-06-26 US disclosed
EP-1102753-B1 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-02-28 EP disclosed
US-20040200972-A1 Digital x-ray image detector NAM, SANG-HEE (KR) 2004-10-14 US disclosed
US-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 US disclosed
US-20040077701-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2004-04-22 US disclosed
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION 2004-02-19 US disclosed
US-20020111374-A1 Estrogen receptor modulators CHIRON CORPORATION 2002-08-15 US disclosed
US-6291505-B1 PYRAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-09-18 US disclosed
EP-1102753-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2000007996-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 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-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 BTK 2109/4885KMT2A 2791/4885MEN1 1841/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 BTK 2109/4885KMT2A 2791/4885MEN1 1841/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 BTK 2109/4885KMT2A 2791/4885MEN1 1841/4885

“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.