SCHEMBL4945888

SCHEMBL4945888

C=CCNONc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
TGM2 P21980 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL1287190 0.72 ALDH1A1 (0.50) CYP1A2LMNAMEN1KMT2AGAA
SCHEMBL11051 0.72 CA12 (0.53) CYP1A2TGM2LMNAMEN1KMT2A
SCHEMBL16371883 0.72 CA12 (0.53) CYP1A2TGM2LMNAMEN1KMT2A
SCHEMBL527139 0.71 SMN1; SMN2 (0.42) TGM2ADRB2ADRB1LMNAMEN1
SCHEMBL587239 0.71 HSD17B10 (0.40) CYP1A2TGM2LMNAMEN1KMT2A
Bromide SCHEMBL30083679 0.70 ALDH1A1 (0.47) CYP1A2LMNAMEN1KMT2AGAA
SCHEMBL253353 0.70 CA12 (0.52) CYP1A2TGM2LMNAMEN1KMT2A
SCHEMBL10385905 0.70 CA12 (0.52) CYP1A2TGM2LMNAMEN1KMT2A
SCHEMBL28296540 0.70 CA12 (0.52) CYP1A2TGM2LMNAMEN1KMT2A
Water SCHEMBL10657216 0.70 CA12 (0.52) CYP1A2TGM2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592419-B2 Ceramides and apoptosis-signaling ligand MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2013-11-26 US disclosed
US-20080045470-A1 Ceramides and Apoptosis-Signaling Ligand MUSC FOUNDATION FOR RESEARCH DEVELOPMENT 2008-02-21 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-20080045470-A1 Ceramides and Apoptosis-Signaling Ligand CERS2, S1PR1, S1PR3 CYP1A2 3808/4885TGM2 3848/4885ADRB2 2265/4885

“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.