SCHEMBL18239698

SCHEMBL18239698

CCCn1ccc2ccc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.44
LIPG Q9Y5X9 9/20 0.44
IRAK4 Q9NWZ3 1/20 0.42
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR1D P28221 1/20 0.34
F11 P03951 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
SCHEMBL14790351 0.89 LPL (0.44) LPLLIPGIRAK4MTNR1AMTNR1B
SCHEMBL18230142 0.89 IRAK4 (0.43) LPLLIPGIRAK4MTNR1AMTNR1B
SCHEMBL20612398 0.85 HTR2A (0.53) LPLLIPGIRAK4HTR2AHTR2C
SCHEMBL18239405 0.85 IRAK4 (0.40) LPLLIPGIRAK4MTNR1AMTNR1B
SCHEMBL14790350 0.82 LIPG (0.52) LPLLIPG
SCHEMBL29894116 0.81 IRAK4 (0.46) LPLLIPGIRAK4
SCHEMBL2215446 0.81 IRAK4 (0.46) LPLLIPGIRAK4
SCHEMBL18239357 0.80 HTR6 (0.48) LPLLIPGIRAK4
SCHEMBL760438 0.79 IRAK4 (0.41) LPLLIPGIRAK4MTNR1AMTNR1B
SCHEMBL17052505 0.79 IRAK4 (0.41) LPLLIPGIRAK4HTR2AHTR2C

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-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US disclosed
WO-2016180537-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 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-20180118718-A1 Substituted Quinoxaline Derivatives BRCA1, NQO2, NQO1 LPL 4519/4885LIPG 2601/4885IRAK4 1577/4885

“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.