SCHEMBL5220395

SCHEMBL5220395

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.37
GRM5 P41594 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KMT2A Q03164 1/20 0.36
ELANE P08246 1/20 0.36
GLA P06280 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL5221483 0.80 BTK (0.37) HSD17B10LMNATSHRNFKB1RAB9A
SCHEMBL5216614 0.77 ESR1 (0.54) HSD17B10LMNAGRM5MAPTSMN1; SMN2
SCHEMBL11708100 0.74 SMN1; SMN2 (0.50) HSD17B10LMNAALDH1A1GRM5POLB
SCHEMBL5216038 0.73 ESR1 (0.40) HSD17B10LMNAMAPTMAPK1TSHR
SCHEMBL5218923 0.73 ESR1 (0.40) HSD17B10LMNAMAPTMAPK1TSHR
SCHEMBL5733093 0.72 RAB9A (0.45) HSD17B10LMNAPOLBMAPTPKM
SCHEMBL9158246 0.69 HSD17B10 (0.76) HSD17B10LMNAALDH1A1POLBMAPT
SCHEMBL329365 0.69 HSD17B10 (0.76) HSD17B10LMNAALDH1A1POLBMAPT
SCHEMBL16203059 0.69 HSD17B10 (0.59) HSD17B10LMNAALDH1A1POLBMAPT
SCHEMBL15501631 0.69 HSD17B10 (0.59) HSD17B10LMNAALDH1A1POLBMAPT

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 9 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-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 HSD17B10 1815/4885LMNA 3842/4885ALDH1A1 3118/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 HSD17B10 1815/4885LMNA 3842/4885ALDH1A1 3118/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 HSD17B10 1815/4885LMNA 3842/4885ALDH1A1 3118/4885

“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.