SCHEMBL2601997

SCHEMBL2601997

COCCCNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.46
HCAR3 P49019 3/20 0.42
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
USP30 Q70CQ3 1/20 0.37
LPL P06858 7/20 0.37
LIPG Q9Y5X9 7/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SYK P43405 1/20 0.35
KCNH3 Q9ULD8 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL29630971 0.92 HCAR3 (0.50) DGAT1HCAR3KDM4EALDH1A1USP30
SCHEMBL20894366 0.92 HCAR3 (0.50) DGAT1HCAR3KDM4EALDH1A1USP30
SCHEMBL29742737 0.84 DGAT1 (0.42) DGAT1HCAR3USP30LPLLIPG
SCHEMBL29742741 0.82 DGAT1 (0.40) DGAT1KDM4EUSP30LPLLIPG
SCHEMBL19996746 0.81 DGAT1 (0.43) DGAT1USP30LPLLIPGCA1
SCHEMBL22674352 0.81 DGAT1 (0.43) DGAT1USP30LPLLIPGCA1
SCHEMBL182973 0.81 DGAT1 (0.46) DGAT1HCAR3KDM4EALDH1A1USP30
SCHEMBL21327400 0.80 DGAT1 (0.57) DGAT1USP30LPLLIPGCA1
SCHEMBL2432651 0.79 LPL (0.50) DGAT1HCAR3LPLLIPGCA1
SCHEMBL25066062 0.79 DGAT1 (0.46) DGAT1HCAR3USP30LPLLIPG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-19 US disclosed
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-19 US disclosed
WO-2010121164-A2 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-10-21 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-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER HTR4, HTR1A, HTR3B DGAT1 3980/4885HCAR3 1838/4885KDM4E 696/4885

“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.