SCHEMBL4868148

SCHEMBL4868148

CC(C)(C)[C@@H]1CCC(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ANO1 Q5XXA6 2/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL401756 1.00 HPGD (0.40) HPGDTP53HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL918723 0.86 THRB (0.38) HPGDTP53HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL41691 0.84 ALDH1A1 (0.40) HPGDTP53HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL11809186 0.82 TRIM24 (0.40) HPGDTP53HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL2691341 0.78
SCHEMBL2649752 0.78 SLC2A1 (0.46) HPGDALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL29281259 0.75 NOS3 (0.39)
SCHEMBL6741817 0.75 TRIM24 (0.43) HPGDTP53HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL918711 0.74 MAPK1 (0.31) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL2709914 0.74 TRIM24 (0.33) ALDH1A1MAPTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125310-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-05-29 US disclosed
US-7323604-B2 Hydride reduction of α,β-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-01-29 US disclosed
US-20060161024-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-07-20 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-20060161024-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts ECH1, CBR1, DHCR24 HPGD 31/4885TP53 4499/4885HSD17B10 78/4885

“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.