SCHEMBL4035160

SCHEMBL4035160

CCCn1nc(-c2ccc(OC)cc2)c2cccc(-c3ccc(F)cc3)c21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.50
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KCNK3 O14649 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
SRC P12931 1/20 0.39
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39
CRHR1 P34998 1/20 0.39

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 0.94 ESR1 (0.55) ESR1CDK2KDM4EALDH1A1HPGD
SCHEMBL4030378 0.92 ESR1 (0.53) ESR1CDK2KDM4EALDH1A1HPGD
SCHEMBL4032113 0.86 ESR1 (0.68) ESR1
SCHEMBL4031181 0.86 ESR1 (0.54) ESR1KDM4EALDH1A1HPGDMEN1
SCHEMBL4034796 0.82 ESR1 (0.73) ESR1KDM4EALDH1A1HPGDHTT
SCHEMBL4027997 0.81 ESR1 (0.73) ESR1KDM4EALDH1A1HPGDMEN1
SCHEMBL4026375 0.81 ESR1 (0.60) ESR1KDM4EALDH1A1HPGDHTT
SCHEMBL4029925 0.80 ESR1 (0.46) ESR1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4027279 0.79 ESR1 (0.76) ESR1KDM4EMEN1KMT2ARAB9A
SCHEMBL4029864 0.77 ESR1 (0.73) ESR1MEN1KMT2AMAPT

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 1028/4885CCNE1 391/4885CDK2 378/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885CCNE1 520/4885CDK2 572/4885

“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.