SCHEMBL1133085

SCHEMBL1133085

CCc1ccccc1-c1c(CC)cccc1CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.49
GABRA1 P14867 4/20 0.48
GABRB2 P47870 4/20 0.48
CYP2D6 P10635 1/20 0.42
LMNA P02545 2/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
ANPEP P15144 1/20 0.41
DPP4 P27487 1/20 0.41
PTPN5 P54829 1/20 0.39
MGLL Q99685 1/20 0.39
TRPA1 O75762 1/20 0.39
DRD2 P14416 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL11018106 0.85 ANPEP (0.54) PDK2GABRA1GABRB2LMNAANPEP
SCHEMBL1132663 0.84 MYC (0.50) PDK2GABRA1GABRB2CYP2D6LMNA
SCHEMBL198461 0.84 CSNK2A2 (0.52) PDK2GABRA1GABRB2CYP2D6LMNA
SCHEMBL7006710 0.83 PDK2 (0.47) PDK2GABRA1GABRB2CYP2D6LMNA
SCHEMBL22686109 0.83 GABRA1 (0.46) PDK2GABRA1GABRB2CYP2D6LMNA
SCHEMBL10783896 0.83 PDK2 (0.47) PDK2GABRA1GABRB2CYP2D6LMNA
SCHEMBL11550615 0.83 PDK2 (0.47) PDK2GABRA1GABRB2CYP2D6LMNA
SCHEMBL9284956 0.82 CSNK2A2 (0.49) PDK2GABRA1GABRB2CSNK2A2CSNK2B
SCHEMBL11017672 0.82 GABRA1 (0.52) PDK2GABRA1GABRB2LMNAANPEP
SCHEMBL15437954 0.82 PDCD1 (0.50) PDK2GABRA1GABRB2CYP2D6DPP4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2287141-B1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-10-21 EP disclosed
US-8237002-B2 Method for producing unsaturated organic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20110046380-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-24 US disclosed
EP-2287141-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-02-23 EP 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-20110046380-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND NIT2, NOS1, CHRM1 PDK2 1165/4885GABRA1 2142/4885GABRB2 1865/4885

“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.