SCHEMBL5222471

SCHEMBL5222471

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
CMKLR1 Q99788 1/20 0.39
CNR2 P34972 2/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SRC P12931 2/20 0.37
PIK3CD O00329 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
HCK P08631 1/20 0.37
KDR P35968 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL5216625 0.94 ESR1 (0.42) PDE4APDE4BPDE4CPDE4DCMKLR1
SCHEMBL5221483 0.84 BTK (0.37) CMKLR1CNR2TSHRHSD17B10LMNA
SCHEMBL5218960 0.84 ESR1 (0.46) CMKLR1CNR2TSHRALOX15HSD17B10
SCHEMBL5216933 0.82 SMN1; SMN2 (0.40) CMKLR1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL5220933 0.82 ESR1 (0.49) PDE4APDE4BPDE4CPDE4DCMKLR1
SCHEMBL5216593 0.81 ESR1 (0.50) PDE4DCMKLR1CNR2TSHRALOX15
SCHEMBL5217448 0.81 ESR1 (0.50) PDE4DCMKLR1CNR2TSHRALOX15
SCHEMBL5218949 0.79 ESR1 (0.47) CMKLR1CNR2TSHRALOX15HSD17B10
Pyrazole SCHEMBL5216913 0.76 ESR1 (0.40) PDE4APDE4BPDE4CPDE4DCMKLR1
SCHEMBL5218775 0.76 HTT (0.38) CNR2HPGDMAPTHTTSMN1; 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 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 PDE4A 1524/4885PDE4B 1745/4885PDE4C 2421/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 PDE4A 1524/4885PDE4B 1745/4885PDE4C 2421/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 PDE4A 1524/4885PDE4B 1745/4885PDE4C 2421/4885

“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.