SCHEMBL9985660

SCHEMBL9985660

CC1(C)OB(c2ccc(COc3cccccc3=O)cc2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.49
LIPG Q9Y5X9 9/20 0.49
LPL P06858 8/20 0.49
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
F11 P03951 1/20 0.42
EGFR P00533 1/20 0.41
P4HB P07237 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL23259140 0.92 DGAT1 (0.52) DGAT1LIPGLPLKEAP1NFE2L2
SCHEMBL20510673 0.82 LPL (0.49) DGAT1LIPGLPLF11EGFR
SCHEMBL258005 0.81 DGAT1 (0.64) DGAT1LIPGLPLF11CA1
SCHEMBL14673623 0.81 SMN1; SMN2 (0.46) DGAT1LIPGLPLKEAP1NFE2L2
SCHEMBL9985674 0.79 HTT (0.44) DGAT1KEAP1NFE2L2
SCHEMBL298401 0.79 DGAT1 (0.72) DGAT1LIPGLPLCA1CA2
SCHEMBL257901 0.78 LIPG (0.59) DGAT1LIPGLPLKEAP1NFE2L2
SCHEMBL17474563 0.78 DGAT1 (0.54) DGAT1LIPGLPLEGFR
SCHEMBL18874632 0.77 NPC1 (0.45) DGAT1LIPGLPLF11EGFR
SCHEMBL16690435 0.77 DGAT1 (0.39) DGAT1LIPGLPLKEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889638-B2 Stimulus-triggered prodrugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-18 US disclosed
US-8889638-B2 Stimulus-triggered prodrugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-18 US disclosed
US-8889638-B2 Stimulus-triggered prodrugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-18 US disclosed
US-20110312905-A1 STIMULUS-TRIGGERED PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-22 US disclosed
US-20110312905-A1 STIMULUS-TRIGGERED PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-22 US disclosed
US-20110312905-A1 STIMULUS-TRIGGERED PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-22 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 (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-20110312905-A1 STIMULUS-TRIGGERED PRODRUGS PREP, ADAM10, DNPEP DGAT1 1934/4885LIPG 488/4885LPL 564/4885

“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.