SCHEMBL19871245

SCHEMBL19871245

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ ALOX15 P16050 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ NFKB1 P19838 2/20 0.53
▸ BLM P54132 2/20 0.53
▸ PMP22 Q01453 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ ADORA3 P0DMS8 2/20 0.53
▸ HTR2A P28223 2/20 0.53
▸ HTR1A P08908 2/20 0.53
▸ HTR7 P34969 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53
▸ HTR2B P41595 1/20 0.53

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
SCHEMBL13272405 1.00 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EALOX15HSD17B10
SCHEMBL14051388 1.00 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EALOX15HSD17B10
SCHEMBL5121452 0.89 SPR (0.50) ALDH1A1MAPTKDM4EALOX15HSD17B10
SCHEMBL18029250 0.89 MAPT (0.52) ALDH1A1MAPTKDM4EALOX15HSD17B10
SCHEMBL18029139 0.86 MAPT (0.49) ALDH1A1MAPTKDM4EALOX15HSD17B10
SCHEMBL18029014 0.86 MAPT (0.49) ALDH1A1MAPTKDM4EALOX15HSD17B10
SCHEMBL14032370 0.86 SPR (0.56) ALDH1A1MAPTKDM4EALOX15HSD17B10
SCHEMBL21266309 0.85 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EALOX15HSD17B10
SCHEMBL18029202 0.85 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EALOX15HSD17B10
SCHEMBL18029130 0.85 MAPT (0.48) ALDH1A1MAPTKDM4EALOX15HSD17B10

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
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 — — US 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 4241/4885KDM4E 3127/4885

“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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