SCHEMBL4029516

SCHEMBL4029516

CCCn1nc2c(C)cccc2c1-c1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.46
PARP1 P09874 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
GRIK2 Q13002 2/20 0.46
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ESR1 P03372 1/20 0.43
HSD17B10 Q99714 1/20 0.42
MAPT P10636 5/20 0.41
HPGD P15428 2/20 0.41
CRHR1 P34998 1/20 0.40
GPR139 Q6DWJ6 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL4025766 0.91 MPO (0.47) TNKSPARP1TNKS2GRIK2KDM4E
SCHEMBL4200871 0.86 NR1H2 (0.43) GRIK2KDM4EALDH1A1LMNAGAA
SCHEMBL4026883 0.86 ESR1 (0.44) GRIK2KDM4EALDH1A1LMNAGAA
SCHEMBL4027796 0.84 ESR1 (0.61) TNKSPARP1TNKS2KDM4ELMNA
SCHEMBL4033022 0.84 ACACA (0.45) TNKSPARP1TNKS2GRIK2KDM4E
SCHEMBL4034560 0.82 KDM4E (0.46) TNKSPARP1TNKS2GRIK2KDM4E
SCHEMBL4034794 0.78 MPO (0.49) GRIK2ESR1CRHR1GPR139ADORA3
SCHEMBL4034796 0.77 ESR1 (0.73) KDM4EALDH1A1LMNAGAATSHR
SCHEMBL4027168 0.76 HTR2A (0.46) TNKSPARP1TNKS2GRIK2KDM4E
SCHEMBL4031355 0.76 ESR1 (0.51) TNKSPARP1TNKS2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542976-B1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH CORP (US) 2009-02-04 EP disclosed
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 US disclosed
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 US disclosed
EP-1542976-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES Wyeth (US) 2005-06-22 EP disclosed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US disclosed
WO-2004031159-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH (US) 2004-04-15 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-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols INSR, TNNI3, INSRR TNKS 3016/4885PARP1 4073/4885TNKS2 3170/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 TNKS 3178/4885PARP1 3892/4885TNKS2 3315/4885

“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.