SCHEMBL12349708

SCHEMBL12349708

CSCCSCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.53
CYP1A2 P05177 3/20 0.52
CYP2D6 P10635 3/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 1/20 0.52
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.43
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
PRMT1 Q99873 1/20 0.39
GBA1 P04062 1/20 0.39
IDO1 P14902 1/20 0.39
NOS3 P29474 1/20 0.39

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
SCHEMBL3078147 0.88 CYP2C19 (0.64) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL6691151 0.79 CYP2C19 (0.45) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL693168 0.79 CYP2C19 (0.55) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL12208207 0.79 CYP2C19 (0.45) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL7909121 0.78 CYP2C19 (0.59) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL6306047 0.78 CYP2C19 (0.59) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL87756 0.78
SCHEMBL23119178 0.77 CYP2C19 (0.53) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL206 0.77 CYP2C19 (0.56) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL6168609 0.76 CYP2C19 (0.57) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9

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-20110190467-A1 Biological Polysiloxanes VISION CRC LIMITED (AU) 2011-08-04 US disclosed
US-20090276042-A1 Biological Polysiloxanes VISION CRC LIMITED (AU) 2009-11-05 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-20090276042-A1 Biological Polysiloxanes PBK, B2M, CD79B CYP2C19 2890/4885CYP1A2 3893/4885CYP2D6 3801/4885

“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.