SCHEMBL10310087

SCHEMBL10310087

CCCc1ccc(CC)c(C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.44
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SRC P12931 1/20 0.39
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
THRB P10828 2/20 0.37
BACE1 P56817 1/20 0.37
ALOX5 P09917 1/20 0.37
CA2 P00918 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
MGLL Q99685 1/20 0.34
PLK1 P53350 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
MTNR1A P48039 1/20 0.33

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
SCHEMBL10497451 0.86 SRC (0.42) CDK1SRCLPLLIPGTHRB
SCHEMBL27679855 0.84 CDK1 (0.47) CDK1CNR1CNR2LPLLIPG
SCHEMBL28190786 0.81 EGFR (0.49) CDK1SRCLPLLIPGBACE1
SCHEMBL8646901 0.81 CNR1 (0.41) CDK1CNR1CNR2SRCLPL
SCHEMBL29953951 0.79 CDK1 (0.71) CDK1CNR1CNR2BACE1ALOX5
SCHEMBL19621198 0.79 SKP2 (0.44) CDK1CNR1CNR2LPLLIPG
SCHEMBL304505 0.79 CDK1 (0.71) CDK1CNR1CNR2BACE1ALOX5
SCHEMBL9569026 0.79 CNR1 (0.37) CDK1CNR1CNR2SRCLPL
SCHEMBL7094408 0.79 CDK1 (0.65) CDK1CNR1CNR2BACE1ALOX5
SCHEMBL15930199 0.78 SRC (0.51) CNR2SRCLPLLIPGTHRB

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-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 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-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 CDK1 665/4885CNR1 32/4885CNR2 41/4885

“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.