SCHEMBL4029131

SCHEMBL4029131

CCCCCn1nc(-c2ccc(OC)cc2)c2cccc(C)c21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.61
MPO P05164 1/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
SMPD1 P17405 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TLR8 Q9NR97 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CRHBP P24387 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL4034796 0.91 ESR1 (0.73) ESR1MAPTTP53KDM4EALDH1A1
SCHEMBL4025992 0.87 ESR1 (0.69) ESR1MPOMAPTTP53SMPD1
SCHEMBL4031969 0.85 ESR1 (0.83) ESR1TLR8MEN1CYP1A2CYP2C9
SCHEMBL4025771 0.84 ESR1 (0.56) ESR1MPOSMPD1KDM4EALDH1A1
SCHEMBL4032536 0.80 ESR1 (0.50) ESR1MAPTTP53KDM4EALDH1A1
SCHEMBL4027614 0.79 ESR1 (0.55) ESR1MAPTTP53KDM4EALDH1A1
SCHEMBL4025766 0.79 MPO (0.47) MPOMAPTTP53SMPD1KDM4E
SCHEMBL4027997 0.78 ESR1 (0.73) ESR1MAPTTP53KDM4EALDH1A1
SCHEMBL4031181 0.78 ESR1 (0.54) ESR1MAPTTP53KDM4EALDH1A1
SCHEMBL4030378 0.77 ESR1 (0.53) ESR1MAPTTP53KDM4EALDH1A1

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 4 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
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US 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 ESR1 1028/4885MPO 944/4885MAPT 4276/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885MPO 1067/4885MAPT 4325/4885

“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.