SCHEMBL20100550

SCHEMBL20100550

Cc1ccc2cc(C3CCCC3)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
KDM4E B2RXH2 5/20 0.48
HSD17B10 Q99714 3/20 0.48
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
DAO P14920 1/20 0.44
DDO Q99489 1/20 0.44
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
ITK Q08881 6/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HIF1A Q16665 1/20 0.39
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FLT3 P36888 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL26863376 0.85 ITK (0.43) RAB9ANPC1KDM4EHSD17B10MAPT
SCHEMBL22112660 0.79 KDM4E (0.51) RAB9ANPC1KDM4EMAPTRXFP1
SCHEMBL14845700 0.79 LOXL2 (0.47) RAB9ANPC1KDM4EHSD17B10MAPT
SCHEMBL3640169 0.77 AOC3 (0.44) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL17540810 0.76 METAP2 (0.41) CA12CA9ALDH1A1SMN1; SMN2
SCHEMBL10441226 0.75 AOC3 (0.42) RAB9ANPC1KDM4EALDH1A1FLT3
SCHEMBL23010839 0.73 TLR9 (0.47) RAB9ADAOCA12CA9FLT3
SCHEMBL19329852 0.71 MAPT (0.43) RAB9ANPC1KDM4EHSD17B10MAPT
SCHEMBL4779286 0.71 KMT2A (0.50) RAB9ANPC1KDM4EHSD17B10MAPT
SCHEMBL15219331 0.71 HRH4 (0.55) RAB9ANPC1DAO

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-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2018-05-03 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-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS CNR1, CNR2, GPR18 RAB9A 1328/4885NPC1 576/4885KDM4E 2823/4885

“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.