SCHEMBL4034794

SCHEMBL4034794

CCCCCn1nc2c(Cl)cccc2c1-c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.49
ESR1 P03372 2/20 0.43
SMPD1 P17405 1/20 0.42
TLR8 Q9NR97 1/20 0.40
NR1H2 P55055 4/20 0.40
NR1H3 Q13133 4/20 0.40
ADORA3 P0DMS8 1/20 0.40
GPR139 Q6DWJ6 1/20 0.38
CNR2 P34972 1/20 0.38
PDE4B Q07343 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIK2 Q13002 1/20 0.38
CRHR1 P34998 1/20 0.37
NR1I2 O75469 1/20 0.37
NR3C1 P04150 1/20 0.37
AR P10275 1/20 0.37
RXRA P19793 1/20 0.37

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
SCHEMBL4026883 0.92 ESR1 (0.44) MPOESR1NR1H2NR1H3GPR139
SCHEMBL4025766 0.87 MPO (0.47) MPOSMPD1TLR8ADORA3GPR139
SCHEMBL4025973 0.86 ESR1 (0.59) MPOESR1NR1H2NR1H3ADORA3
SCHEMBL4025992 0.79 ESR1 (0.69) MPOESR1SMPD1TLR8ADORA3
SCHEMBL4029516 0.78 TNKS (0.46) ESR1NR1H2NR1H3ADORA3GPR139
SCHEMBL4200871 0.77 NR1H2 (0.43) NR1H2NR1H3ADORA3GPR139MAOB
SCHEMBL4031615 0.77 ESR1 (0.62) ESR1NR1H2NR1H3NR1I2NR3C1
SCHEMBL4033022 0.75 ACACA (0.45) NR1H2NR1H3ADORA3MEN1KMT2A
SCHEMBL1407179 0.75 CRHR1 (0.40) ESR1TLR8CRHR1
SCHEMBL4031736 0.74 HTR2A (0.45) MPOGPR139MAOBMEN1KMT2A

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 MPO 944/4885ESR1 1028/4885SMPD1 3985/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 MPO 1067/4885ESR1 2487/4885SMPD1 3840/4885

“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.