SCHEMBL4034339

SCHEMBL4034339

COc1ccc(-c2nn(C3CCCC3)c3c(Cl)ccc(C)c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.46
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGS2 P35354 4/20 0.40
LCK P06239 1/20 0.40
LYN P07948 1/20 0.40
BTK Q06187 1/20 0.40
PIK3CD O00329 6/20 0.39
ABL1 P00519 6/20 0.39
EGFR P00533 6/20 0.39
HCK P08631 6/20 0.39
SRC P12931 6/20 0.39
KDR P35968 6/20 0.39
PIK3CA P42336 6/20 0.39
PIK3CB P42338 6/20 0.39
MTOR P42345 6/20 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
SCHEMBL5411401 0.80 ESR1 (0.72) ESR1PTGS2LCKLYNBTK
SCHEMBL4033707 0.79 ESR1 (0.73) ESR1ALDH1A1LMNAHPGDALOX15
SCHEMBL4030731 0.79 CNR1 (0.41) ALDH1A1LMNAHPGDALOX15TSHR
SCHEMBL4031188 0.71 ESR1 (0.72) ESR1PTGS2LCKLYNBTK
SCHEMBL4025963 0.70 ESR1 (0.71) ESR1ALDH1A1LMNAHPGDALOX15
SCHEMBL16611267 0.70 CMKLR1 (0.42) ALDH1A1LMNAHPGDALOX15TSHR
SCHEMBL395263 0.68 CMKLR1 (0.45) ALDH1A1LMNAHPGDALOX15TSHR
SCHEMBL5216933 0.68 SMN1; SMN2 (0.40) ALDH1A1LMNAHPGDALOX15TSHR
SCHEMBL4025754 0.68 ESR1 (0.52) ESR1ALDH1A1LMNAHPGDALOX15
SCHEMBL4194778 0.67 ESR1 (0.46) ESR1ALDH1A1LMNAHPGDALOX15

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 1028/4885ALDH1A1 2279/4885LMNA 4029/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885ALDH1A1 1965/4885LMNA 4285/4885

“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.