SCHEMBL4034336

SCHEMBL4034336

COc1ccc(Cc2nn(C3CCCC3)c3c(Cl)cccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.47
ADRA1A P35348 9/20 0.45
HRH1 P35367 9/20 0.45
ADRA1B P35368 9/20 0.45
HRH3 Q9Y5N1 7/20 0.45
ADRA2A P08913 2/20 0.45
CHRM1 P11229 2/20 0.45
ADRA2B P18089 2/20 0.45
HTR2A P28223 2/20 0.45
DRD3 P35462 2/20 0.45
ABCB1 P08183 2/20 0.45
CHRM2 P08172 1/20 0.45
ADRB1 P08588 1/20 0.45
CYP2D6 P10635 1/20 0.45
GABRA1 P14867 1/20 0.45
ADRA2C P18825 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A4 P31645 1/20 0.45
OPRM1 P35372 1/20 0.45

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 0.81 ESR1 (0.72) ESR1SMN1; SMN2NPSR1
SCHEMBL4030727 0.80 SIGMAR1 (0.44) ESR1ADRA1AHRH1ADRA1BHRH3
SCHEMBL4033707 0.80 ESR1 (0.73) ESR1LMNASMN1; SMN2TSHRNPSR1
SCHEMBL4033497 0.74 ESR1 (0.54) ESR1
SCHEMBL4194778 0.72 ESR1 (0.46) ESR1ADRA1AHRH3KCNH2SIGMAR1
SCHEMBL4031188 0.67 ESR1 (0.72) ESR1
SCHEMBL4030042 0.67 ESR1 (0.61) ESR1KDR
SCHEMBL4025963 0.66 ESR1 (0.71) ESR1LMNASMN1; SMN2TSHRNPSR1
SCHEMBL4034339 0.66 ESR1 (0.46) ESR1LMNAKDRTSHR
SCHEMBL4029642 0.65 ESR1 (1.00) ESR1KDR

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 1028/4885ADRA1A 1362/4885HRH1 1480/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885ADRA1A 990/4885HRH1 1729/4885

“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.