SCHEMBL18081998

SCHEMBL18081998

COC1CCCC(COc2cccc3nc(C)c(C(=O)O)c(N)c23)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 11/20 0.40
DHFR P00374 1/20 0.40
MCHR1 Q99705 3/20 0.37
MAP4K4 O95819 1/20 0.35
RBP4 P02753 1/20 0.35
TTR P02766 1/20 0.35
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL618750 0.90 DCPS (0.48) DCPSDHFRMCHR1MAP4K4CYP2D6
SCHEMBL621384 0.88 DCPS (0.48) DCPSDHFRMCHR1CYP2D6
Hydrochloric Acid SCHEMBL619258 0.87 DCPS (0.47) DCPSDHFRMCHR1CYP2D6
SCHEMBL619531 0.87 DCPS (0.47) DCPSDHFRMCHR1CYP2D6
SCHEMBL21281312 0.87 DCPS (0.40) DCPSDHFRMCHR1MAP4K4CYP2D6
SCHEMBL10285590 0.85 DCPS (0.39) DCPSDHFRMCHR1MAP4K4CYP2D6
SCHEMBL28054877 0.82 PIM1 (0.42) DCPSDHFR
SCHEMBL10257495 0.80 DCPS (0.41) DCPSDHFRRBP4TTRCYP2D6
SCHEMBL621167 0.80 DCPS (0.46) DCPSDHFRMCHR1MEN1KMT2A
SCHEMBL17740881 0.79 KMT2A (0.40) DCPSMCHR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251372-A1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED 2016-09-01 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-20160251372-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 DCPS 1214/4885DHFR 2674/4885MCHR1 1746/4885

“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.