SCHEMBL4039501

SCHEMBL4039501

Clc1ccc2c(c1)OCc1ccccc1/C2=C/Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.51
MAPK14 Q16539 1/20 0.45
NR3C2 P08235 5/20 0.41
HRH1 P35367 3/20 0.41
KCNH2 Q12809 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SLC22A1 O15245 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41

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
SCHEMBL4039503 1.00 HTR2B (0.51) HTR2BMAPK14NR3C2HRH1KCNH2
SCHEMBL4999010 0.82 HTR2B (0.55) HTR2BNR3C2HRH1KCNH2ALDH1A1
SCHEMBL4999007 0.82 HTR2B (0.55) HTR2BNR3C2HRH1KCNH2ALDH1A1
SCHEMBL3090362 0.82 NR3C2 (0.58) HTR2BMAPK14NR3C2HRH1KCNH2
SCHEMBL2251060 0.82 NR3C2 (0.58) HTR2BMAPK14NR3C2HRH1KCNH2
SCHEMBL2251054 0.82 NR3C2 (0.58) HTR2BMAPK14NR3C2HRH1KCNH2
SCHEMBL4036590 0.78 HTT (0.44) HTR2BHRH1KCNH2ALDH1A1SLC22A1
SCHEMBL4036595 0.78 HTT (0.44) HTR2BHRH1KCNH2ALDH1A1SLC22A1
SCHEMBL4161951 0.78 HTT (0.44) HTR2BHRH1KCNH2ALDH1A1SLC22A1
SCHEMBL11575938 0.77 MAPK14 (0.68) MAPK14ALDH1A1KMT2AKDM4EMAOB

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
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
EP-1519915-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2009-05-27 EP disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 HTR2B 962/4885MAPK14 1472/4885NR3C2 2/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 HTR2B 891/4885MAPK14 1545/4885NR3C2 2/4885

“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.