SCHEMBL6076661

SCHEMBL6076661

O=C(O)CC1CCC(O)C1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A12 P48065 5/20 0.44
▸ SLC6A11 P48066 5/20 0.44
▸ SLC6A13 Q9NSD5 5/20 0.44
▸ SLC6A1 P30531 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRR1 P24046 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ HSD11B1 P28845 1/20 0.32
▸ AKR1C4 P17516 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ GBA1 P04062 1/20 0.32
▸ ITGB3 P05106 1/20 0.31
▸ ITGB2 P05107 1/20 0.31
▸ ITGB1 P05556 1/20 0.31
▸ ITGAV P06756 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ ITGA5 P08648 1/20 0.31

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
SCHEMBL9278180 0.79 SLC6A12 (0.57) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL17281763 0.77 SLC6A12 (0.41) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL21510329 0.76 SLC6A12 (0.40) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL19190079 0.76 SLC6A12 (0.40) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL10359716 0.74 SLC6A12 (0.39) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL10359717 0.74 SLC6A12 (0.39) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL10359377 0.74 SLC6A12 (0.39) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL10359376 0.74 SLC6A12 (0.39) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL28103940 0.73 SLC6A12 (0.46) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL28103497 0.73 SLC6A12 (0.46) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5

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-7038064-B2 Process for producing hydroxylactones DIACEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-05-02 — — US disclosed
EP-1302469-B1 PROCESS FOR PRODUCING HYDROXYLACTONE DAICEL CHEM (JP) 2005-03-30 — — EP disclosed
US-20040024228-A1 Process for producing hydroxylactones DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-05 — — US disclosed
EP-1302469-A1 PROCESS FOR PRODUCING HYDROXYLACTONE Daicel Chemical Industries, Ltd. (JP) 2003-04-16 — — 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-20040024228-A1 Process for producing hydroxylactones HAO2, HAO1, DUOX2 SLC6A12 1769/4885SLC6A11 1552/4885SLC6A13 1836/4885

“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.

Send feedback