SCHEMBL4887124

SCHEMBL4887124

CCCCCCCCCCCCCCCCCCOc1ccncc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.69
CYP3A4 P08684 3/20 0.69
LMNA P02545 4/20 0.64
NPC1 O15118 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
NFKB1 P19838 2/20 0.64
NFKB2 Q00653 2/20 0.64
RELA Q04206 2/20 0.64
CYP2C9 P11712 3/20 0.61
CYP2C19 P33261 3/20 0.61
CYP1A2 P05177 1/20 0.61
NR5A1 Q13285 1/20 0.60
TSHR P16473 2/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
RAB9A P51151 1/20 0.56
HSD17B10 Q99714 1/20 0.56
LTA4H P09960 3/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL1573619 1.00 CYP2D6 (0.69) CYP2D6CYP3A4LMNANPC1SMN1; SMN2
SCHEMBL1996527 1.00 CYP2D6 (0.69) CYP2D6CYP3A4LMNANPC1SMN1; SMN2
SCHEMBL1874710 1.00 CYP2D6 (0.69) CYP2D6CYP3A4LMNANPC1SMN1; SMN2
SCHEMBL22145062 0.98 CYP2D6 (0.71) CYP2D6CYP3A4LMNANPC1SMN1; SMN2
SCHEMBL7947076 0.91 CYP2D6 (0.81) CYP2D6CYP3A4LMNANPC1SMN1; SMN2
SCHEMBL9650447 0.89 CYP2D6 (0.89) CYP2D6CYP3A4LMNANPC1SMN1; SMN2
SCHEMBL31621357 0.89 CYP2D6 (0.89) CYP2D6CYP3A4LMNANPC1SMN1; SMN2
SCHEMBL31621352 0.89 CYP2D6 (0.89) CYP2D6CYP3A4LMNANPC1SMN1; SMN2
SCHEMBL8615461 0.86 CYP2D6 (0.57) CYP2D6CYP3A4LMNANPC1SMN1; SMN2
SCHEMBL6364384 0.86 CYP2D6 (0.62) CYP2D6CYP3A4LMNANPC1SMN1; SMN2

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-20080064898-A1 Method for Producing Oxygen-Containing Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-13 US disclosed
EP-1797953-A1 PROCESS FOR PRODUCING OXYGENIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-06-20 EP 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-20080064898-A1 Method for Producing Oxygen-Containing Compound AOC2, AOX1, CAT CYP2D6 981/4885CYP3A4 500/4885LMNA 3622/4885

“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.