SCHEMBL20935015

SCHEMBL20935015

Nc1cccc2[nH]cc(CCC(=O)O)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 2/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54
GAA P10253 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
THRB P10828 1/20 0.50
DNMT1 P26358 1/20 0.50
RECQL P46063 1/20 0.50
CASP6 P55212 1/20 0.50
KMT2A Q03164 1/20 0.50
MCL1 Q07820 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTR2C P28335 3/20 0.48
NPSR1 Q6W5P4 1/20 0.46
HTR2A P28223 6/20 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
SCHEMBL15323836 0.83 GAA (0.72) GPR17HPGDCYP2C19GAAALDH1A1
SCHEMBL15141741 0.82 HTR2A (0.65) GPR17HPGDCYP2C19GAAALDH1A1
SCHEMBL16540351 0.82 GPR17 (0.69) GPR17HPGDCYP2C19GAAALDH1A1
SCHEMBL31036403 0.82 GPR84 (0.61) GPR17HPGDCYP2C19GAAALDH1A1
SCHEMBL18509280 0.82 GPR17 (0.55) GPR17HPGDCYP2C19GAAALDH1A1
SCHEMBL15142475 0.82 GPR84 (0.61) GPR17HPGDCYP2C19GAAALDH1A1
SCHEMBL18509268 0.79 MTNR1A (0.68) GPR17HPGDGAAALDH1A1MAPT
SCHEMBL18509792 0.79 PTGER1 (0.51) GPR17HPGDCYP2C19GAAALDH1A1
SCHEMBL23226328 0.78 GPR17 (0.50) GPR17HPGDCYP2C19GAAALDH1A1
SCHEMBL20120035 0.78 GPR17 (0.50) GPR17HPGDCYP2C19GAAALDH1A1

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-10550079-B2 Artificial self-sufficient cytochrome P450s UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-02-04 US disclosed
WO-2019183358-A2 WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 WO 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 GPR17 3737/4885HPGD 260/4885CYP2C19 48/4885
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, CYP2F1, POR GPR17 3737/4885HPGD 260/4885CYP2C19 48/4885

“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.