SCHEMBL18509747

SCHEMBL18509747

Cc1c(CCC(=O)O)c2cccc(-c3ccccc3)c2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GLA P06280 1/20 0.44
MCL1 Q07820 1/20 0.43
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 2/20 0.41
CMA1 P23946 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
PSMB8 P28062 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.40
GPR17 Q13304 3/20 0.40
FABP3 P05413 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
SCHEMBL18509929 0.90 MCL1 (0.47) EGFRNPC1RAB9AGLAMCL1
SCHEMBL19872770 0.83 EGFR (0.48) EGFRNPC1RAB9AMCL1HDAC6
SCHEMBL21392209 0.83 EGFR (0.49) EGFRNPC1RAB9AHDAC6ALDH1A1
SCHEMBL21392130 0.82 CYP1A2 (0.40) ALDH1A1KDM4EFABP4
SCHEMBL21392207 0.81 EGFR (0.46) EGFRNPC1RAB9AHDAC6ALDH1A1
SCHEMBL20120013 0.81 EGFR (0.46) EGFRNPC1RAB9AMCL1GAA
SCHEMBL18509698 0.81 EGFR (0.46) EGFRNPC1RAB9AMCL1HDAC6
SCHEMBL18509710 0.81 EGFR (0.46) EGFRNPC1RAB9AHDAC6ALDH1A1
SCHEMBL18509922 0.79 EGFR (0.47) EGFRNPC1RAB9AHDAC6ALDH1A1
SCHEMBL18509551 0.79 ABCB1 (0.48) EGFRNPC1RAB9AGLAALDH1A1

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 5 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
WO-2018081456-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-03 WO disclosed
WO-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 WO 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 EGFR 2865/4885NPC1 3044/4885RAB9A 2494/4885
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, CYP2F1, POR EGFR 2865/4885NPC1 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.