SCHEMBL20935019

SCHEMBL20935019

O=C(O)CCc1c[nH]c2ccc(N3CCOCC3)cc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
CYP2C19 P33261 1/20 0.56
SNCA P37840 1/20 0.53
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
HTR1D P28221 2/20 0.50
HTR1B P28222 2/20 0.50
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
HTR7 P34969 1/20 0.47
HTR1A P08908 2/20 0.46
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL19872652 0.92 ALDH1A1 (0.51) HPGDCYP2C19SNCAALDH1A1MAPT
SCHEMBL19871235 0.81 KMT2A (0.60) CYP2C19SNCAALDH1A1MAPTHTR1D
SCHEMBL18029007 0.81 KMT2A (0.60) CYP2C19SNCAALDH1A1MAPTHTR1D
SCHEMBL3813966 0.78 TRPV1 (0.66) SNCAKDM4E
SCHEMBL3810147 0.78 TRPV1 (0.66) SNCAKDM4E
SCHEMBL21392230 0.77 KIF11 (0.50) HPGDALDH1A1MAPTLMNAKMT2A
SCHEMBL20119973 0.75 LMNA (0.43) CYP2C19ALDH1A1MAPTLMNAKMT2A
SCHEMBL30402832 0.75 HPGD (0.69) HPGDCYP2C19ALDH1A1HTR1DHTR1B
SCHEMBL3093023 0.75 JAK2 (0.52) ALDH1A1MAPTLMNAKMT2AKDM4E
SCHEMBL30964171 0.74 MAPT (0.80) HPGDCYP2C19ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550079-B2 Artificial self-sufficient cytochrome P450s UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-02-04 US disclosed
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 (2 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-10550079-B2 Artificial self-sufficient cytochrome P450s CYP4F2, CYP2F1, POR HPGD 260/4885CYP2C19 48/4885SNCA 2727/4885
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, CYP2F1, POR HPGD 260/4885CYP2C19 48/4885SNCA 2727/4885

“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.