SCHEMBL4865141

SCHEMBL4865141

O=C1C=CCCC1C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 1/20 0.32
CYP19A1 P11511 2/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL26828327 0.98 ALDH1A1 (0.33) ALDH1A1MAPTHPGDCYP19A1NPC1
SCHEMBL10937868 0.81 MAPT (0.33) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL10938530 0.78 MAPT (0.33) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL9279934 0.77 MAOA (0.32)
SCHEMBL13657281 0.77 MAOA (0.32)
SCHEMBL9343963 0.71 MAPT (0.32) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL1986587 0.69
SCHEMBL4270286 0.66 ALDH1A1 (0.33) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL25801478 0.66 MAPT (0.45) ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL20782083 0.66 MAPT (0.45) ALDH1A1MAPTKMT2ASMN1; SMN2

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 ALDH1A1 14/4885MAPT 2535/4885HPGD 31/4885

“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.