SCHEMBL12425652

SCHEMBL12425652

CCC1CCC(NCCOC)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
CCNK O75909 1/20 0.31
CDK9 P50750 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMYD3 Q9H7B4 1/20 0.30

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
SCHEMBL12424343 0.84 KDM4E (0.33) S1PR4S1PR1S1PR3KDM4ECYP1A2
SCHEMBL14845794 0.80 DRD3 (0.42) S1PR4S1PR1S1PR3
SCHEMBL4761390 0.80
Hydrochloric Acid SCHEMBL1461782 0.78
SCHEMBL15014520 0.77 TSHR (0.46) S1PR4S1PR1S1PR3KDM4ECYP1A2
SCHEMBL13074166 0.76 KCNH2 (0.40)
Hydrochloric Acid SCHEMBL29134334 0.76 KDM4E (0.42) KDM4ECYP1A2CYP2D6CYP2C19IRAK4
SCHEMBL10153657 0.76 KDM4E (0.37) KDM4ECYP1A2CYP2D6CYP2C19IRAK4
SCHEMBL27048598 0.74 S1PR4 (0.37) S1PR4S1PR1S1PR3SMYD3
SCHEMBL12424414 0.73 S1PR4 (0.30) S1PR4S1PR1S1PR3

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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 S1PR4 2904/4885S1PR1 1914/4885S1PR3 1659/4885

“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.