SCHEMBL14499366

SCHEMBL14499366

CCOc1nc2ccc(OCCCCCc3cc(C)no3)cc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
APP P05067 3/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TLR7 Q9NYK1 5/20 0.38
F2RL3 Q96RI0 4/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
DRD2 P14416 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL14499365 0.96 CYP1A2 (0.41) CYP1A2APPCYP19A1CYP2C9CYP2C19
SCHEMBL9804162 0.81 KMT2A (0.43) NPC1RAB9ANR1I2CYP3A4CYP2D6
SCHEMBL14499363 0.79 MEN1 (0.42) CYP1A2APPCYP19A1CYP2C9CYP2C19
SCHEMBL10327454 0.78 FAAH (0.43) CYP1A2CYP19A1CYP2C9CYP2C19CA12
SCHEMBL9804036 0.76 MEN1 (0.47) CYP1A2CYP19A1CYP2C9CYP2C19NPC1
SCHEMBL9436495 0.74 CHRNB4 (0.53) TLR7TLR9
SCHEMBL11032176 0.73 CYP1A2 (0.48) CYP1A2CYP19A1CYP2C9CYP2C19DRD2
SCHEMBL9804091 0.73 NPSR1 (0.50) NPC1
SCHEMBL11032320 0.72 MEN1 (0.51) CYP1A2CYP19A1CYP2C9CYP2C19NPC1
SCHEMBL11031034 0.71 TDP1 (0.53) CYP1A2CYP19A1CYP2C9CYP2C19NPC1

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-20070149530-A1 For treatment of picornavirus infections in mammals BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2007-06-28 US disclosed
US-20070149530-A1 For treatment of picornavirus infections in mammals BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2007-06-28 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-20070149530-A1 For treatment of picornavirus infections in mammals HAVCR2, EIF2AK2, MAVS CYP1A2 1855/4885APP 3808/4885CYP19A1 4534/4885

“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.