SCHEMBL4156315

SCHEMBL4156315

CCCCOc1cc[c]nc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.46
CYP2C9 P11712 8/20 0.46
CYP2C19 P33261 7/20 0.46
CYP19A1 P11511 6/20 0.46
CYP3A4 P08684 8/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LTA4H P09960 3/20 0.43
CYP1A2 P05177 4/20 0.42
NR5A1 Q13285 1/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL10967703 0.93 NR5A1 (0.47) CYP2D6CYP2C9CYP2C19CYP19A1NPC1
SCHEMBL533380 0.91 LTA4H (0.39) CYP2D6CYP2C9CYP2C19CYP19A1NPC1
SCHEMBL533162 0.82
SCHEMBL17316697 0.81 CHRNB2 (0.35)
SCHEMBL933436 0.80 CHRNB2 (0.56) LTA4HMAPT
SCHEMBL1173582 0.79 APP (0.40) MAPT
SCHEMBL23036856 0.77 MAOB (0.42) CYP2D6
SCHEMBL1173153 0.75 ALDH1A1 (0.35) KDM4E
SCHEMBL3335244 0.75 MAPT (0.64) CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4
SCHEMBL1976211 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2009-07-23 US disclosed
US-20090143440-A1 Pyrazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-06-04 US disclosed
EP-1943234-A1 TRIAZOLE COMPOUNDS AS LIPOXYGENASE INHIBITORS Biolipox AB (SE) 2008-07-16 EP disclosed
WO-2007051982-A1 TRIAZOLE COMPOUNDS AS LIPOXYGENASE INHIBITORS BIOLIPOX AB (SE) 2007-05-10 WO 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 (2 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-20090143440-A1 Pyrazoles Useful in the Treatment of Inflammation ALOX15, ALOX12, ALOX15B CYP2D6 170/4885CYP2C9 139/4885CYP2C19 49/4885
US-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 CYP2D6 148/4885CYP2C9 88/4885CYP2C19 51/4885

“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.