SCHEMBL18029014

SCHEMBL18029014

Cc1ccc2c(c1)c(CC(N)C(=O)O)cn2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ RECQL P46063 2/20 0.49
▸ CDK2 P24941 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ BLM P54132 3/20 0.41
▸ PMP22 Q01453 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ RGS12 O14924 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
SCHEMBL18029123 0.89 MAPT (0.52) MAPTALDH1A1RECQLCDK2KDM4E
SCHEMBL19871245 0.86 ALDH1A1 (0.53) MAPTALDH1A1RECQLKDM4ELMNA
SCHEMBL13272405 0.86 ALDH1A1 (0.53) MAPTALDH1A1RECQLKDM4ELMNA
SCHEMBL18029139 0.86 MAPT (0.49) MAPTALDH1A1RECQLKDM4ELMNA
SCHEMBL14051388 0.86 ALDH1A1 (0.53) MAPTALDH1A1RECQLKDM4ELMNA
SCHEMBL18029130 0.85 MAPT (0.48) MAPTALDH1A1RECQLKDM4ELMNA
SCHEMBL21266309 0.85 ALDH1A1 (0.48) MAPTALDH1A1RECQLKDM4ELMNA
SCHEMBL18029202 0.85 ALDH1A1 (0.48) MAPTALDH1A1RECQLCDK2KDM4E
SCHEMBL18028919 0.83 ADRB2 (0.59) MAPTALDH1A1RECQLNQO2MTNR1A
SCHEMBL18029037 0.83 NR4A2 (0.52) MAPTALDH1A1RECQLICMT

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 MAPT 4241/4885ALDH1A1 449/4885RECQL 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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