SCHEMBL20465656

SCHEMBL20465656

CCCc1ccn(O)c(=O)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MGLL Q99685 1/20 0.38
GPR84 Q9NQS5 4/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
PLK1 P53350 1/20 0.34
IDH1 O75874 2/20 0.33
ALOX5 P09917 1/20 0.33
TYR P14679 1/20 0.33
PTGS2 P35354 1/20 0.33
THRB P10828 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
SCHEMBL30982711 0.86 KAT8 (0.45) MGLLGPR84LPLLIPGPTGS2
SCHEMBL10606322 0.82 KDM4E (0.41) IDH1ALOX5TYRPTGS2
SCHEMBL16118975 0.78 MGLL (0.39) CNR1CNR2MGLLGPR84HDAC6
SCHEMBL28129027 0.67
SCHEMBL13677538 0.67 SKP2 (0.40) MGLLGPR84
SCHEMBL380954 0.62 CNR1 (0.50) CNR1CNR2LPLLIPG
SCHEMBL12937829 0.61 TAAR1 (0.41)
SCHEMBL17772671 0.61 ADORA2B (0.37)
SCHEMBL18091143 0.61 CNR1 (0.50) CNR1CNR2
SCHEMBL11539069 0.61 NPC1 (0.62) CNR1CNR2MGLLGPR84LPL

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-20180222869-A1 ANTICANCER DRUGS INCLUDING THE CHEMICAL STRUCTURES OF AN ANDROGEN RECEPTOR LIGAND AND A HISTONE DEACETYLASE INHIBITOR UNITED STATES GOVERNMENT 2018-08-09 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-20180222869-A1 ANTICANCER DRUGS INCLUDING THE CHEMICAL STRUCTURES OF AN ANDROGEN RECEPTOR LIGAND AND A HISTONE DEACETYLASE INHIBITOR AR, HDAC1, HDAC11 CNR1 1394/4885CNR2 2420/4885MGLL 4029/4885

“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.