SCHEMBL18029282

SCHEMBL18029282

COc1cccc2c1c(CC(N)C(=O)O)c(C)n2C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 7/20 0.47
MAPT P10636 5/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
RECQL P46063 3/20 0.41
ALOX15 P16050 1/20 0.41
SLC7A5 Q01650 2/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BLM P54132 1/20 0.38
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
GRIK3 Q13003 1/20 0.37
TPH1 P17752 1/20 0.37

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
SCHEMBL18029160 0.85 GRIA1 (0.42) MAPTMEN1KMT2ARECQLSLC7A5
SCHEMBL19871274 0.84 MAPT (0.40) MAPTMEN1KMT2ARECQLSLC7A5
SCHEMBL18029093 0.84 PLA2G2A (0.44) PLA2G2AMAPTMEN1POLBKMT2A
SCHEMBL18029300 0.82 AKR1B1 (0.40) MAPTRECQLSLC7A5ALDH1A1GRIK1
SCHEMBL18029152 0.82 MAPT (0.41) MAPTMEN1KMT2ARECQLSLC7A5
SCHEMBL18029088 0.82 ALDH1A1 (0.39) MAPTMEN1KMT2ARECQLSLC7A5
SCHEMBL18029107 0.81 ALDH1A1 (0.57) MAPTMEN1POLBKMT2AL3MBTL1
SCHEMBL18000438 0.81 ALDH1A1 (0.57) MAPTMEN1POLBKMT2AL3MBTL1
SCHEMBL18029326 0.81 MAPT (0.38) MAPTMEN1KMT2ARECQLSLC7A5
SCHEMBL18029362 0.81 MAPT (0.38) MAPTMEN1KMT2ARECQLSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
US-20230287466-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH (US) 2023-09-14 US disclosed
US-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-02-15 US disclosed
WO-2016134145-A2 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-08-25 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 (1 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-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, POR, CYP4F3 PLA2G2A 1134/4885MAPT 4241/4885MEN1 4705/4885

“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.