SCHEMBL20935249

SCHEMBL20935249

Cn1cc(CCC(=O)O)c2c(N3CCOCC3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CMA1 P23946 3/20 0.41
CTSG P08311 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL20119984 0.81 NPC1 (0.41) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL18029061 0.81 PTGS2 (0.48) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL20120180 0.78 HSD17B10 (0.42) MAPTNPC1RAB9AALDH1A1HSD17B10
SCHEMBL23226449 0.77 ITGB1 (0.38) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL18509839 0.76 CTSB (0.44) MAPTRAB9ALMNAALDH1A1NPSR1
SCHEMBL20119869 0.76 HTR2C (0.63) CMA1CTSGKDM4EMEN1KMT2A
SCHEMBL21392216 0.76 CMA1 (0.64) CMA1CTSGNPSR1HTR2AHTR2C
SCHEMBL19872653 0.75 GPR17 (0.44) MAPTLMNAALDH1A1NPSR1KDM4E
SCHEMBL18509797 0.75 CMA1 (0.47) CMA1CTSGLMNAKDM4EMEN1
SCHEMBL18509533 0.75 MCL1 (0.51) CMA1CTSGKMT2AHTR2AHTR2C

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-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-04-25 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-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, CYP2F1, POR MAPT 4297/4885NPC1 3044/4885RAB9A 2494/4885

“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.