SCHEMBL3028103

SCHEMBL3028103

Fc1c(CBr)ccc(Cl)c1Oc1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
ESRRA P11474 1/20 0.38
SCN9A Q15858 2/20 0.36
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
CYP2A6 P11509 2/20 0.35
CYP1A2 P05177 1/20 0.35
HTR1B P28222 5/20 0.35
NPBWR1 P48145 1/20 0.34
KCNA3 P22001 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIN1 Q13526 1/20 0.33
NR2E1 Q9Y466 1/20 0.33

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
SCHEMBL3029326 0.88 HTR1B (0.42) HPGDESRRASCN9AKDM1ARCOR1
SCHEMBL3036665 0.79 HPGD (0.44) HPGDESRRASCN9AKDM1ARCOR1
SCHEMBL3034980 0.77 RHEB (0.42) NPBWR1KDM4ETDP1
SCHEMBL8586021 0.74 KDM4E (0.53) HPGDESRRACYP1A2HTR1BKCNA3
SCHEMBL3028545 0.73 CYP1A2 (0.41) HPGDESRRASCN9AKDM1ARCOR1
SCHEMBL5659852 0.73 HTR1B (0.44) HPGDESRRACYP1A2HTR1BKCNA3
SCHEMBL8936781 0.70 ESRRA (0.43) HPGDESRRAKDM1ARCOR1CYP1A2
SCHEMBL8476855 0.70 ALDH1A1 (0.44) CYP2A6CYP1A2ALDH1A1TDP1
SCHEMBL3032773 0.70 MEP1B (0.33)
SCHEMBL8591232 0.70 KDM4E (0.48) HPGDESRRACYP1A2HTR1BKCNA3

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.