SCHEMBL4029629

SCHEMBL4029629

CCCCn1nc(-c2ccc(O)c(O)c2)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.52
PTGER1 P34995 2/20 0.41
RORC P51449 2/20 0.39
RORA P35398 1/20 0.39
RORB Q92753 1/20 0.39
SCN9A Q15858 2/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SCN5A Q14524 1/20 0.36
TLR8 Q9NR97 1/20 0.36
KIF11 P52732 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4035483 0.91 ESR1 (0.44) ESR1PTGER1RORCRORARORB
SCHEMBL4030236 0.89 ESR1 (0.57) ESR1PTGER1RORCRORARORB
SCHEMBL4025242 0.87 ESR1 (0.44) ESR1PTGER1RORCSCN9AKDM4E
SCHEMBL5406664 0.84 PTGER1 (0.53) ESR1PTGER1ALDH1A1KDM4ECYP2C9
SCHEMBL4032548 0.83 ESR1 (0.55) ESR1ALDH1A1HPGDKDM4EMAPT
SCHEMBL4029390 0.82 SCN9A (0.52) ESR1PTGER1SCN9AALDH1A1KDM4E
SCHEMBL4029018 0.80 ESR1 (0.51) ESR1PTGER1RORCRORARORB
SCHEMBL4197102 0.78 ESR1 (0.44) ESR1PTGER1RORCSCN9AKDM4E
SCHEMBL4025974 0.78 ESR1 (0.47) ESR1RORC
SCHEMBL4035081 0.75 ESR1 (0.57) ESR1PTGER1SCN9ACYP2C9CYP2C19

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 1028/4885PTGER1 349/4885RORC 142/4885

“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.