SCHEMBL18029202

SCHEMBL18029202

Cn1cc(CC(N)C(=O)O)c2cc(Cl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ RECQL P46063 2/20 0.48
▸ KMT2A Q03164 4/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ CYP2C9 P11712 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ SNCA P37840 1/20 0.41
▸ CPT2 P23786 1/20 0.41
▸ CPT1A P50416 1/20 0.41
▸ CPT1B Q92523 1/20 0.41
▸ KMO O15229 1/20 0.41
▸ PTGER1 P34995 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TNF P01375 1/20 0.41

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
SCHEMBL19871241 0.90 ALDH1A1 (0.51) ALDH1A1MAPTRECQLKMT2ACDK2
SCHEMBL14051388 0.85 ALDH1A1 (0.53) ALDH1A1MAPTRECQLKMT2AKDM4E
SCHEMBL18029014 0.85 MAPT (0.49) ALDH1A1MAPTRECQLKMT2ACDK2
SCHEMBL13272405 0.85 ALDH1A1 (0.53) ALDH1A1MAPTRECQLKMT2AKDM4E
SCHEMBL18029139 0.85 MAPT (0.49) ALDH1A1MAPTRECQLKMT2AKDM4E
SCHEMBL19871245 0.85 ALDH1A1 (0.53) ALDH1A1MAPTRECQLKMT2AKDM4E
SCHEMBL18029130 0.84 MAPT (0.48) ALDH1A1MAPTRECQLKMT2AKDM4E
SCHEMBL21266309 0.84 ALDH1A1 (0.48) ALDH1A1MAPTRECQLKMT2AKDM4E
SCHEMBL31688464 0.83 PTGDR2 (0.54) ALDH1A1MAPTRECQLKMT2ACYP2C9
SCHEMBL18029285 0.82 MAPT (0.46) ALDH1A1MAPTRECQLKMT2AKDM4E

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-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-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 — — WO 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 ALDH1A1 449/4885MAPT 4241/4885RECQL 1048/4885

“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.

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