SCHEMBL3036665

SCHEMBL3036665

Cc1ccc(Cl)c(Oc2cccc3ccccc23)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
ESRRA P11474 1/20 0.43
SCN9A Q15858 2/20 0.38
CYP2A6 P11509 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.38
PIN1 Q13526 1/20 0.38
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
TSHR P16473 1/20 0.36
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
HTR1B P28222 4/20 0.35
HSD17B10 Q99714 2/20 0.35
PGR P06401 1/20 0.35
GAA P10253 1/20 0.35
PTGS1 P23219 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR1D P28221 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL3033179 0.82 KDM4E (0.44) HPGDESRRACYP2A6ALDH1A1CYP1A2
SCHEMBL3029326 0.80 HTR1B (0.42) HPGDESRRASCN9ACYP2A6ALDH1A1
SCHEMBL3028103 0.79 HPGD (0.39) HPGDESRRASCN9ACYP2A6ALDH1A1
SCHEMBL8586021 0.77 KDM4E (0.53) HPGDESRRAALDH1A1CYP1A2HTR1B
SCHEMBL3027901 0.77 PIN1 (0.50) ALDH1A1PIN1TSHRHSD17B10GAA
SCHEMBL3030019 0.74 RHEB (0.45) SCN9ACYP1A2TSHRPTGS1KDM4E
SCHEMBL8591232 0.73 KDM4E (0.48) HPGDESRRAALDH1A1CYP1A2HTR1B
SCHEMBL17616946 0.72 ALDH1A1 (0.45) HPGDESRRACYP2A6ALDH1A1CYP1A2
SCHEMBL5402131 0.71 HTR1B (0.48) HPGDESRRACYP2A6ALDH1A1CYP1A2
SCHEMBL4365850 0.70 ALDH1A1 (0.58) HPGDESRRACYP2A6ALDH1A1CYP1A2

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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 (1 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 HPGD 824/4885ESRRA 2411/4885SCN9A 4777/4885

“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.