SCHEMBL4031969

SCHEMBL4031969

CCCCCn1nc(-c2ccc(O)cc2)c2cccc(C)c21

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.83
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CRHBP P24387 1/20 0.43
CYP2C19 P33261 1/20 0.43
CRHR2 Q13324 1/20 0.43
CNR2 P34972 1/20 0.40
TLR8 Q9NR97 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
SCHEMBL4029768 0.91 ESR1 (1.00) ESR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL4026981 0.86 ESR1 (0.93) ESR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL4029131 0.85 ESR1 (0.61) ESR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL4026335 0.83 ESR1 (0.75) ESR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL4030292 0.82 ESR1 (1.00) ESR1MEN1KMT2ACYP1A2
SCHEMBL4028612 0.82 ESR1 (0.74) ESR1MEN1KMT2ACYP1A2
SCHEMBL4030678 0.80 ESR1 (0.77) ESR1MEN1KMT2ACYP1A2
SCHEMBL4026320 0.79 ESR1 (0.69) ESR1
SCHEMBL4027279 0.78 ESR1 (0.76) ESR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL4031355 0.78 ESR1 (0.51) ESR1MEN1KMT2ACYP1A2CYP2C9

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 1028/4885MEN1 1719/4885KMT2A 2656/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885MEN1 2749/4885KMT2A 2418/4885

“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.