SCHEMBL18509968

SCHEMBL18509968

Cc1c(CCC(=O)O)c2c(C3CC3)cccc2n1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.42
EGFR P00533 2/20 0.42
HDAC6 Q9UBN7 2/20 0.39
NOTUM Q6P988 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PLA2G2A P14555 2/20 0.37
PLA2G10 O15496 1/20 0.37
FABP4 P15090 3/20 0.37
FABP5 Q01469 3/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
FABP3 P05413 1/20 0.35
TBXAS1 P24557 1/20 0.35

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
SCHEMBL19872661 0.80 PLA2G2A (0.47) EGFRHDAC6NPC1RAB9APLA2G2A
SCHEMBL18509286 0.80 SLC22A12 (0.42) SLC22A12EGFRHDAC6NOTUMNPC1
SCHEMBL21395993 0.79 GPR17 (0.48) EGFRHDAC6NPC1RAB9APLA2G2A
SCHEMBL21392131 0.79 GPR17 (0.48) SLC22A12EGFRHDAC6NPC1RAB9A
SCHEMBL18509302 0.79 EGFR (0.46) EGFRHDAC6NPC1RAB9APLA2G2A
SCHEMBL18509969 0.79 EGFR (0.46) EGFRHDAC6NPC1RAB9APLA2G2A
SCHEMBL21392040 0.77 PLA2G2A (0.50) EGFRHDAC6NPC1RAB9APLA2G2A
SCHEMBL19872668 0.77 EGFR (0.44) SLC22A12EGFRHDAC6NPC1RAB9A
SCHEMBL18509495 0.77 EGFR (0.47) EGFRHDAC6NPC1RAB9APLA2G2A
SCHEMBL23226289 0.76 CPB2 (0.34) NOTUMALDH1A1

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-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-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 SLC22A12 3731/4885EGFR 3494/4885HDAC6 4668/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 SLC22A12 3731/4885EGFR 3494/4885HDAC6 4668/4885
US-10550079-B2 Artificial self-sufficient cytochrome P450s CYP4F2, CYP2F1, POR SLC22A12 3173/4885EGFR 2865/4885HDAC6 4567/4885
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, CYP2F1, POR SLC22A12 3173/4885EGFR 2865/4885HDAC6 4567/4885

“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.