SCHEMBL15401090

SCHEMBL15401090

CCC(N)C(N)(CCCN)C(N)CC

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DNM1 Q05193 4/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL995528 0.93 DNM1 (0.35) LMNABLMDNM1MEN1KMT2A
SCHEMBL7651635 0.85
SCHEMBL15668489 0.81 ODC1 (0.32) ODC1KDM4ELMNAMAPTRAB9A
SCHEMBL1576711 0.79 SMPD1 (0.41) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL9191386 0.76 DNM1 (0.31) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL5181380 0.74 TSHR (0.39) ODC1KDM4ELMNAMAPTRAB9A
SCHEMBL2283399 0.74
SCHEMBL7599205 0.73 ODC1 (0.31) ODC1
SCHEMBL1276023 0.69 ODC1 (0.37) ODC1KDM4ELMNAMAPTRAB9A
SCHEMBL5310513 0.68 ODC1 (0.38) ODC1KDM4ELMNAMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005156-A1 AMINOALKYLSTEROL COMPOUNDS WITH ANTITUMORAL AND NEUROPROTECTIVE ACTIVITY INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-01-02 US claimed

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-20140005156-A1 AMINOALKYLSTEROL COMPOUNDS WITH ANTITUMORAL AND NEUROPROTECTIVE ACTIVITY CYP27A1, NLN, NR1H3 ODC1 3608/4885KDM4E 4377/4885LMNA 1268/4885

“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.