SCHEMBL22399062

SCHEMBL22399062

Cc1ccc(N[C@H]2CC[C@@H](C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL7793281 1.00 POLB (0.42) POLBTAS1R3TAS1R1TAS1R2RAB9A
SCHEMBL171236 0.91 POLB (0.47) POLBRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7794525 0.83 RAB9A (0.51) POLBRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2478210 0.83 RAB9A (0.56) POLBRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL12162974 0.82 RAB9A (0.44) POLBRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL21920151 0.82 POLB (0.44) POLBRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL12908034 0.82 RAB9A (0.44) POLBRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7130956 0.82 CA12 (0.42) POLBRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL13450023 0.82 SMN1; SMN2 (0.46) POLBRAB9ANPC1SMN1; SMN2CYP3A4
SCHEMBL13450330 0.82 POLB (0.62) POLBRAB9ANPC1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766851-B1 Method to convert lignin 4-O-5 diaryl ethers and their model compounds into organic chemicals THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIVERSITY (CA) 2020-09-08 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-10766851-B1 Method to convert lignin 4-O-5 diaryl ethers and their model compounds into organic chemicals PPOX, DAO, PAH POLB 559/4885TAS1R3 3796/4885TAS1R1 4224/4885

“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.