SCHEMBL4087942

SCHEMBL4087942

CCOC(=O)C[C@@H]1CCC(C)=C[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 2/20 0.34
POLB P06746 2/20 0.34
CYP2D6 P10635 1/20 0.34
MIF P14174 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP2 O75604 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
SCHEMBL4102498 1.00 ACE2 (0.35) ACE2MGAMGAASIMGAM2
SCHEMBL4103087 0.80 AKR1C4 (0.39) POLBALDH1A1TDP1
SCHEMBL13849730 0.80 AKR1C4 (0.39) POLBALDH1A1TDP1
SCHEMBL4099629 0.80 AKR1C4 (0.39) POLBALDH1A1TDP1
SCHEMBL13845758 0.76 CNR2 (0.33) ACE2KMT2ACYP1A2CYP2D6TRPA1
SCHEMBL22795135 0.76 CNR2 (0.33) ACE2KMT2ACYP1A2CYP2D6TRPA1
SCHEMBL13845753 0.76 CNR2 (0.33) ACE2KMT2ACYP1A2CYP2D6TRPA1
SCHEMBL15653541 0.70 MGAM (0.46) MGAMGAASIMGAM2KMT2A
SCHEMBL15182066 0.70 SMN1; SMN2 (0.49) MGAMGAASIMGAM2KMT2A
SCHEMBL4102344 0.70 CYP11B1 (0.39) MGAMGAASIMGAM2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118157-A1 Processes For Production Of Wine Lactone And Its Intermediates And Application Of The Lactone SAN-EI GEN F.F.I. INC. (JP) 2009-05-07 US disclosed
EP-1787975-A1 PROCESSES FOR PRODUCTION OF WINE LACTONE AND ITS INTERMEDIATES AND APPLICATION OF THE LACTONE SAN-EI GEN F.F.I., INC. (JP) 2007-05-23 EP 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-20090118157-A1 Processes For Production Of Wine Lactone And Its Intermediates And Application Of The Lactone DCXR, COASY, AKR7A2 ACE2 4477/4885MGAM 141/4885GAA 1179/4885

“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.