SCHEMBL18509744

SCHEMBL18509744

C=Cc1cccc2c(CCC(=O)O)c(C)n(C)c12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.40
CYSLTR2 Q9NS75 8/20 0.39
CYSLTR1 Q9Y271 8/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CMA1 P23946 1/20 0.38
ALDH1A1 P00352 1/20 0.37
P2RX3 P56373 1/20 0.37
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36

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
SCHEMBL19872770 0.85 EGFR (0.48) EGFRNPC1RAB9AGAACYSLTR2
SCHEMBL21392209 0.82 EGFR (0.49) EGFRNPC1RAB9AGAACYSLTR2
SCHEMBL18509698 0.80 EGFR (0.46) EGFRNPC1RAB9AGAACYSLTR2
SCHEMBL20120013 0.80 EGFR (0.46) EGFRNPC1RAB9AGAACYSLTR2
SCHEMBL18509710 0.80 EGFR (0.46) EGFRNPC1RAB9AGAACYSLTR2
SCHEMBL21392207 0.80 EGFR (0.46) EGFRNPC1RAB9AGAACYSLTR2
SCHEMBL18509555 0.80 EGFR (0.43) EGFRNPC1RAB9AGAATHRA
SCHEMBL18029168 0.79 MAPT (0.37) ALDH1A1
SCHEMBL18509922 0.78 EGFR (0.47) EGFRNPC1RAB9AGAACYSLTR2
SCHEMBL18509551 0.78 ABCB1 (0.48) EGFRNPC1RAB9AGAACYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 US disclosed
US-10550079-B2 Artificial self-sufficient cytochrome P450s UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-02-04 US disclosed
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 US 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 (4 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-11078467-B2 Highly active self-sufficient nitration biocatalysts POR, CYP4F3, CBR3 EGFR 3494/4885NPC1 3751/4885RAB9A 2504/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 EGFR 3494/4885NPC1 3751/4885RAB9A 2504/4885
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.