SCHEMBL21243379

SCHEMBL21243379

CC1CCC(COC(=O)C2CCCCC2C(=O)OCC2CCC(C)CC2C)C(C)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
EPHX1 P07099 1/20 0.34
SLC18A2 Q05940 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL21243362 0.93 TP53 (0.39) TP53CYP3A4EPHX1TRPM8
SCHEMBL21243347 0.87 TP53 (0.36) TP53CYP3A4EPHX1
SCHEMBL21243376 0.81 MEN1 (0.38)
SCHEMBL21243340 0.80 TP53 (0.50) TP53CYP3A4EPHX1
SCHEMBL1472455 0.80 NLRP3 (0.35) TRPM8
SCHEMBL25307194 0.78 TP53 (0.47) TP53CYP3A4EPHX1
SCHEMBL465350 0.77 ALDH1A1 (0.47) CYP3A4
SCHEMBL21243331 0.77 TP53 (0.46) TP53CYP3A4EPHX1TRPM8
SCHEMBL21243370 0.77 TP53 (0.39) TP53CYP3A4EPHX1TRPM8
SCHEMBL21243361 0.76 TP53 (0.53) TP53CYP3A4EPHX1

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-10947472-B2 Lubricant base oil for power transmission NEW JAPAN CHEMICAL CO., LTD. (JP) 2021-03-16 US disclosed
US-20190249103-A1 LUBRICANT BASE OIL FOR POWER TRANSMISSION NEW JAPAN CHEMICAL CO., LTD. (JP) 2019-08-15 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-10947472-B2 Lubricant base oil for power transmission DNAH12, DYNC1LI1, DYNC1LI2 TP53 4733/4885CYP3A4 4194/4885EPHX1 1801/4885
US-20190249103-A1 LUBRICANT BASE OIL FOR POWER TRANSMISSION DNAH12, DYNC1LI1, DYNC1LI2 TP53 4733/4885CYP3A4 4194/4885EPHX1 1801/4885

“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.