SCHEMBL4030378

SCHEMBL4030378

CCCn1nc(-c2ccc(OC)cc2)c2cccc(-c3ccccc3)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.53
MAPT P10636 4/20 0.46
TP53 P04637 2/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
ACACA Q13085 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.41
CRHBP P24387 1/20 0.41

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
SCHEMBL4027614 0.97 ESR1 (0.55) ESR1MAPTTP53KDM4EALDH1A1
SCHEMBL4035160 0.92 ESR1 (0.50) ESR1MAPTTP53KDM4EALDH1A1
SCHEMBL4034796 0.85 ESR1 (0.73) ESR1MAPTTP53KDM4EALDH1A1
SCHEMBL4029864 0.85 ESR1 (0.73) ESR1MAPTMEN1KMT2ATSHR
SCHEMBL4031181 0.84 ESR1 (0.54) ESR1MAPTTP53KDM4EALDH1A1
SCHEMBL4027997 0.84 ESR1 (0.73) ESR1MAPTTP53KDM4EALDH1A1
SCHEMBL4029925 0.83 ESR1 (0.46) ESR1MAPTKDM4EALDH1A1HPGD
SCHEMBL4027279 0.82 ESR1 (0.76) ESR1MAPTTP53KDM4ERAB9A
SCHEMBL4026375 0.81 ESR1 (0.60) ESR1MAPTTP53KDM4EALDH1A1
SCHEMBL4033022 0.80 ACACA (0.45) MAPTKDM4EALDH1A1HPGDRAB9A

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 1028/4885MAPT 4276/4885TP53 2478/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885MAPT 4325/4885TP53 3191/4885

“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.