SCHEMBL4865536

SCHEMBL4865536

C[C@@H](CC=O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
ADH1C P00326 3/20 0.38
ADH1A P07327 3/20 0.38
ADH1B P00325 2/20 0.38
EPHX1 P07099 4/20 0.34
ADH4 P08319 1/20 0.34
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MMP2 P08253 2/20 0.32
CA9 Q16790 2/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL11449188 1.00 SHBG (0.39) SHBGADH1CADH1AADH1BEPHX1
SCHEMBL8652418 1.00 SHBG (0.39) SHBGADH1CADH1AADH1BEPHX1
SCHEMBL4865547 1.00 SHBG (0.39) SHBGADH1CADH1AADH1BEPHX1
SCHEMBL25338157 0.98 SHBG (0.36) SHBGADH1CADH1AADH1BEPHX1
SCHEMBL4578418 0.88
SCHEMBL1026314 0.80
SCHEMBL3234409 0.79
SCHEMBL29172458 0.79 SHBG (0.41) SHBGADH1CADH1AADH1BEPHX1
SCHEMBL28017744 0.78
SCHEMBL3223235 0.78

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 7 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-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-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-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-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 SHBG 2040/4885ADH1C 13/4885ADH1A 46/4885

“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.