SCHEMBL4580309

SCHEMBL4580309

CCCCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.68
▸ ALOX15 P16050 3/20 0.68
▸ PDK1 Q15118 2/20 0.68
▸ PDK2 Q15119 2/20 0.68
▸ PDK3 Q15120 2/20 0.68
▸ PDK4 Q16654 2/20 0.68
▸ LMNA P02545 2/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ SLCO1B3 Q9NPD5 1/20 0.68
▸ SLCO1B1 Q9Y6L6 1/20 0.68
▸ GABRA1 P14867 1/20 0.68
▸ GABRB2 P47870 1/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ MAPT P10636 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ KDM4E B2RXH2 1/20 0.68
▸ MAPK1 P28482 1/20 0.58
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54

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
SCHEMBL4580314 1.00 HSD17B10 (0.68) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL417664 0.96 HSD17B10 (0.66) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL417665 0.96 HSD17B10 (0.66) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL14281496 0.91 HSD17B10 (0.66) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL770010 0.90 HSD17B10 (0.71) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL770009 0.90 HSD17B10 (0.71) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL14495336 0.90 HSD17B10 (0.71) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL2418158 0.90 HSD17B10 (0.74) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL2418156 0.90 HSD17B10 (0.74) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL13337971 0.90 HSD17B10 (0.74) HSD17B10ALOX15PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106632744-B Propylene polymerization catalyst, preparation method and application 北京化工大学 2020-05-15 — — CN disclosed
US-20140350269-A1 Acetals Esters Produced from Purified Glycerin for Use and Application as Emollients, Lubricants, Plasticizers, Solvents, Coalescents, Humectant, Polymerization Monomers, Additives to Biofuels GLYCEROSOLUTION QUÍMICA LTDA. (BR) 2014-11-27 — — US disclosed
EP-2799433-A2 Acetals esters produced from purified glycerin for use and application as emollients, lubricants, plasticizers, solvents, coalescents, humectant, polymerization monomers, additives to biofuels Glycerosolution Quimica, Ltda (BR) 2014-11-05 — — EP disclosed
US-7407686-B2 Optical film, polarizing plate and display device utilising the film, and production method of optical film KONICA CORPORATION (JP) 2008-08-05 — — US disclosed
US-20060062936-A1 Optical film, polarizing plate and display device utilising the film, and production method of optical film KONICA CORPORATION 2006-03-23 — — US disclosed
US-20030170482-A1 Optical film, polarizing plate and display device utilizing the film, and production method of optical film KONICA CORPORATION (JP) 2003-09-11 — — 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-20140350269-A1 Acetals Esters Produced from Purified Glycerin for Use and Application as Emollients, Lubricants, Plasticizers, Solvents, Coalescents, Humectant, Polymerization Monomers, Additives to Biofuels GK, DAGLA, DAGLB HSD17B10 578/4885ALOX15 1370/4885PDK1 87/4885

“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.

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