SCHEMBL4036253

SCHEMBL4036253

CCCCn1nc(-c2ccc(O)c(O)c2)c2cccc(Cl)c21

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.77
RORC P51449 2/20 0.40
TP53 P04637 1/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL4030292 0.87 ESR1 (1.00) ESR1RORCTP53ALDH1A1NPSR1
SCHEMBL4035727 0.86 ESR1 (0.57) ESR1PDE4APDE4BPDE4CPDE4D
SCHEMBL4031909 0.86 ESR1 (0.76) ESR1RORCALDH1A1NPSR1L3MBTL1
SCHEMBL4026981 0.83 ESR1 (0.93) ESR1RORCTP53MEN1CYP1A2
SCHEMBL4025562 0.83 ESR1 (0.71) ESR1RORCPDE4BALDH1A1NPSR1
SCHEMBL4031338 0.82 ESR1 (0.75) ESR1RORCPDE4APDE4BPDE4C
SCHEMBL4025914 0.81 ESR1 (0.51) ESR1RORCMAPT
SCHEMBL4031726 0.79 ESR1 (1.00) ESR1RORCTP53ALDH1A1NPSR1
SCHEMBL5397380 0.79 ESR1 (0.56) ESR1RORCMEN1MAPTKMT2A
SCHEMBL4032548 0.78 ESR1 (0.55) ESR1TP53PDE4APDE4BPDE4C

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 3 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

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 1028/4885RORC 142/4885TP53 2478/4885

“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.