SCHEMBL4025874

SCHEMBL4025874

CCCn1nc(-c2ccc(OC)cc2)c2cccc(N3CCOCC3)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.47
CETP P11597 1/20 0.45
MAPT P10636 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PRKDC P78527 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40
CDK7 P50613 1/20 0.40
CCNH P51946 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL4030748 0.87 ESR1 (0.63) ESR1MEN1KMT2AALDH1A1HTT
SCHEMBL4027614 0.79 ESR1 (0.55) ESR1MAPTMEN1KMT2ACCNA2
SCHEMBL4034796 0.79 ESR1 (0.73) ESR1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL4027997 0.78 ESR1 (0.73) ESR1MAPTMEN1KMT2AALDH1A1
SCHEMBL4031181 0.78 ESR1 (0.54) ESR1MAPTMEN1KMT2AALDH1A1
SCHEMBL4030378 0.77 ESR1 (0.53) ESR1MAPTMEN1KMT2ACCNA2
SCHEMBL4026375 0.75 ESR1 (0.60) ESR1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL4035160 0.74 ESR1 (0.50) ESR1MAPTMEN1KMT2ACDK2
SCHEMBL4029131 0.71 ESR1 (0.61) ESR1MAPTMEN1KMT2AALDH1A1
SCHEMBL4025992 0.70 ESR1 (0.69) ESR1MAPTMEN1KMT2AALDH1A1

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 1028/4885CETP 3007/4885MAPT 4276/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885CETP 2742/4885MAPT 4325/4885

“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.