SCHEMBL20076527

SCHEMBL20076527

CCN(CCC(C)C)CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
PLA2G1B P04054 1/20 0.37
PLA2G2A P14555 1/20 0.37
ALDH1A1 P00352 1/20 0.36
OPRM1 P35372 3/20 0.32
OPRD1 P41143 3/20 0.32
OPRK1 P41145 3/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PIK3CD O00329 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL3409861 0.88 PLA2G1B (0.39) CYP1A2MAPK1PLA2G1BPLA2G2AALDH1A1
SCHEMBL436979 0.88 PLA2G1B (0.39) CYP1A2MAPK1PLA2G1BPLA2G2AALDH1A1
SCHEMBL173217 0.86 CYP1A2 (0.40) CYP1A2MAPK1PLA2G1BPLA2G2ACA12
SCHEMBL19543354 0.85 CYP1A2 (0.43) CYP1A2MAPK1ALDH1A1OPRM1OPRD1
SCHEMBL13759584 0.85 CYP1A2 (0.43) CYP1A2MAPK1ALDH1A1OPRM1OPRD1
SCHEMBL9289906 0.83 CYP1A2 (0.44) CYP1A2MAPK1PLA2G1BPLA2G2ACA12
SCHEMBL23192258 0.82 PLA2G1B (0.33) PLA2G1BPLA2G2AALDH1A1OPRM1OPRD1
SCHEMBL21016163 0.82 SIGMAR1 (0.44) CYP1A2MAPK1PLA2G1BPLA2G2ASIGMAR1
SCHEMBL35704 0.82 CYP1A2 (0.46) CYP1A2MAPK1PLA2G1BPLA2G2ACA12
SCHEMBL806005 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647747-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2020-05-12 US disclosed
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2018-04-19 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 (2 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-10647747-B2 Cyclosporin derivatives and uses thereof FKBP5, FKBP1B, MALT1 CYP1A2 805/4885MAPK1 909/4885PLA2G1B 4676/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 CYP1A2 1223/4885MAPK1 1050/4885PLA2G1B 4667/4885

“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.