SCHEMBL4869078

SCHEMBL4869078

O=C1CC[C@@H](COCc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
BUB1 O43683 1/20 0.44
TSHR P16473 1/20 0.44
SGPL1 O95470 1/20 0.41
S1PR1 P21453 1/20 0.41
NAAA Q02083 1/20 0.40
AGTR2 P50052 1/20 0.40
AKT1 P31749 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL4869082 1.00 CTSL (0.47) CTSLCTSBCTSKLMNACYP3A4
SCHEMBL7279180 0.91 CYP2C19 (0.52) CTSLCTSBCTSKLMNACYP3A4
SCHEMBL421810 0.90 CTSL (0.49) CTSLCTSBCTSKLMNABUB1
SCHEMBL337537 0.86 BUB1 (0.51) CTSLCTSBCTSKLMNABUB1
SCHEMBL15803710 0.84 CYP2C19 (0.43) CTSLCTSBCTSKLMNACYP3A4
SCHEMBL19261314 0.83 BUB1 (0.49) CTSLCTSBCTSKLMNABUB1
SCHEMBL1928095 0.79 TSHR (0.58) CTSLCTSBCTSKLMNATSHR
SCHEMBL17019782 0.79 TSHR (0.58) CTSLCTSBCTSKLMNATSHR
SCHEMBL1623299 0.78 LMNA (0.44) CTSLCTSBCTSKLMNACYP3A4
SCHEMBL4865573 0.78 GBA1 (0.48)

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 CTSL 4657/4885CTSB 3816/4885CTSK 3192/4885

“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.