SCHEMBL6489372

SCHEMBL6489372

CCc1ccccc1C(CC(=O)OC)C[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.37
CPA1 P15085 3/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL7680206 0.92 PPARD (0.39) ALDH1A1MEN1KMT2ACYP3A4CPA1
SCHEMBL7684336 0.85 ALDH1A1 (0.40) ALDH1A1CYP3A4CPA1MAPTSMN1; SMN2
SCHEMBL7687237 0.85 CNR1 (0.43) ALDH1A1CYP3A4CPA1MAPTNPSR1
SCHEMBL6492632 0.84 ALDH1A1 (0.40) ALDH1A1CYP3A4CPA1MAPTNPSR1
SCHEMBL6477248 0.84 CYP2C9 (0.45) ALDH1A1KMT2ACYP3A4CPA1MAPT
SCHEMBL121197 0.84 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP3A4CPA1
SCHEMBL6487215 0.84 ALDH1A1 (0.42) ALDH1A1CYP3A4CPA1
SCHEMBL7686449 0.82 CYP2C19 (0.41) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL6479508 0.82 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL7689051 0.81 CNR1 (0.42) ALDH1A1MEN1KMT2ACYP3A4MAPT

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-6861530-B2 Piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-01 US disclosed
US-6492392-B1 INHIBITING TUMOR CELL PROLIFERATION KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-10 US disclosed
US-20020137770-A1 Piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-26 US disclosed
WO-2001085716-A1 2-PIPERIDONE COMPOUNDS FOR THE TREATMENT OF CANCER KYOWA HAKKO KOGYO CO., LTD (JP) 2001-11-15 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-20020137770-A1 Piperidine derivatives CIP2A, PARP2, TP53 ALDH1A1 270/4885MEN1 1991/4885KMT2A 1289/4885

“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.