SCHEMBL21243383

SCHEMBL21243383

CC(C)C1CCC(COC(=O)C2C3CCC(C3)C2C(=O)OCC2CCC(C(C)C)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
HCRTR2 O43614 2/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL21243355 0.81 ALDH1A1 (0.40) ALDH1A1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL21243344 0.81 ALDH1A1 (0.40) ALDH1A1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL13762649 0.80 ALDH1A1 (0.41) ALDH1A1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL21243352 0.79 TP53 (0.49) LMNAHCRTR2
SCHEMBL21243373 0.79 TLR4 (0.39) ALDH1A1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL21243375 0.78 TRPM8 (0.41) LMNAHCRTR2
SCHEMBL6559290 0.78 HCRTR2 (0.38) ALDH1A1LMNAHCRTR2
SCHEMBL21243360 0.78 LMNA (0.49) ALDH1A1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL11880271 0.78 HCRTR2 (0.38) ALDH1A1LMNAHCRTR2
SCHEMBL11882934 0.78 HCRTR2 (0.38) ALDH1A1LMNAHCRTR2

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 ALDH1A1 1661/4885MEN1 2513/4885CYP1A2 3601/4885
US-20190249103-A1 LUBRICANT BASE OIL FOR POWER TRANSMISSION DNAH12, DYNC1LI1, DYNC1LI2 ALDH1A1 1661/4885MEN1 2513/4885CYP1A2 3601/4885

“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.