SCHEMBL13028281

SCHEMBL13028281

CC(=O)C(C)CC(C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
APP P05067 1/20 0.31
CYP3A4 P08684 2/20 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
SCHEMBL14593924 0.91 CA1 (0.38) CA1CA2CA7NOS1NOS3
SCHEMBL13613729 0.83 CA14 (0.42) CA1CA2CA7NOS1NOS3
SCHEMBL59963 0.83 CA1 (0.40) CA1CA2CA7NOS1NOS3
SCHEMBL1330022 0.83 CA1 (0.40) CA1CA2CA7NOS1NOS3
SCHEMBL13007214 0.78 TDP1 (0.44) CA1CA2CA7NOS1NOS3
SCHEMBL7551324 0.78 NOS1 (0.39) CA1CA2CA7NOS1NOS3
SCHEMBL7555924 0.78 NOS1 (0.39) CA1CA2CA7NOS1NOS3
SCHEMBL12891365 0.76 ALDH1A1 (0.40) TDP1LMNACYP1A2ALDH1A1
SCHEMBL17953984 0.76 ALDH1A1 (0.40) TDP1LMNACYP1A2ALDH1A1
SCHEMBL19759004 0.76 CYP2D6 (0.33) CA1CA2CA7NOS1NOS3

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-20100286008-A1 ADDITIVE FOR OILS AND LUBRICANT CONTAINING THE SAME KYOWA HAKKO CHEMICAL CO., LTD. (JP) 2010-11-11 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-20100286008-A1 ADDITIVE FOR OILS AND LUBRICANT CONTAINING THE SAME NR0B2, NR2E1, LBR CA1 3979/4885CA2 4471/4885CA7 4571/4885

“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.