SCHEMBL4099629

SCHEMBL4099629

CC1=C[C@H](O)[C@@H](CC(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
SLC6A12 P48065 3/20 0.35
SLC6A11 P48066 3/20 0.35
SLC6A13 Q9NSD5 3/20 0.35
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HIF1A Q16665 3/20 0.31
EPAS1 Q99814 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL13849730 1.00 AKR1C4 (0.39) AKR1C4AKR1C3AKR1C2SLC6A12SLC6A11
SCHEMBL4103087 1.00 AKR1C4 (0.39) AKR1C4AKR1C3AKR1C2SLC6A12SLC6A11
SCHEMBL13849728 0.82 ALDH1A1 (0.40) AKR1C4AKR1C3AKR1C2SLC6A12SLC6A11
SCHEMBL4087942 0.80 ACE2 (0.35) ALDH1A1POLBTDP1
SCHEMBL5506589 0.80 SLC6A12 (0.36) AKR1C4AKR1C3AKR1C2SLC6A12SLC6A11
SCHEMBL10780374 0.79 AKR1C4 (0.35) AKR1C4AKR1C3AKR1C2SLC6A12SLC6A11
SCHEMBL13845758 0.77 CNR2 (0.33) TDP1HIF1AEPAS1
SCHEMBL22795135 0.77 CNR2 (0.33) TDP1HIF1AEPAS1
SCHEMBL13845753 0.77 CNR2 (0.33) TDP1HIF1AEPAS1
SCHEMBL4858485 0.72 POLB (0.43) MAPTALDH1A1POLBTDP1

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 4 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
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
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 AKR1C4 6/4885AKR1C3 17/4885AKR1C2 21/4885

“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.