SCHEMBL4033707

SCHEMBL4033707

COc1ccc(-c2nn(C3CCCCC3)c3c(Cl)cccc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.73
CMKLR1 Q99788 1/20 0.42
LCK P06239 2/20 0.42
LYN P07948 2/20 0.42
EGFR P00533 1/20 0.42
BLK P51451 1/20 0.42
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BTK Q06187 5/20 0.41
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

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 0.99 ESR1 (0.72) ESR1CMKLR1LCKLYNEGFR
SCHEMBL4025963 0.86 ESR1 (0.71) ESR1CMKLR1LCKLYNEGFR
SCHEMBL4031188 0.85 ESR1 (0.72) ESR1CMKLR1LCKLYNEGFR
SCHEMBL4026005 0.84 ESR1 (1.00) ESR1CMKLR1EGFR
SCHEMBL4025754 0.83 ESR1 (0.52) ESR1CMKLR1LCKLYNEGFR
SCHEMBL4029642 0.83 ESR1 (1.00) ESR1CMKLR1EGFR
SCHEMBL4034336 0.80 ESR1 (0.47) ESR1NPSR1SMN1; SMN2LMNATSHR
SCHEMBL4034339 0.79 ESR1 (0.46) ESR1CMKLR1LCKLYNEGFR
SCHEMBL4194778 0.79 ESR1 (0.46) ESR1NPSR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4029431 0.75 ESR1 (0.71) ESR1CMKLR1EGFR

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 6 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
EP-1542976-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES Wyeth (US) 2005-06-22 EP disclosed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US disclosed
WO-2004031159-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH (US) 2004-04-15 WO 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 1028/4885CMKLR1 399/4885LCK 1054/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885CMKLR1 525/4885LCK 885/4885

“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.