SCHEMBL4127935

SCHEMBL4127935

O=C(O)C[C@@H]1CCCC[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
SLC6A12 P48065 5/20 0.44
SLC6A11 P48066 5/20 0.44
SLC6A13 Q9NSD5 5/20 0.44
PTGS1 P23219 7/20 0.38
PTGS2 P35354 6/20 0.38
MT-CO1 P00395 1/20 0.38
MT-CO2 P00403 1/20 0.38
SLC18A3 Q16572 2/20 0.35
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

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
SCHEMBL4112861 1.00 CA1 (0.46) CA1CA2CA4SLC6A12SLC6A11
SCHEMBL4112857 1.00 CA1 (0.46) CA1CA2CA4SLC6A12SLC6A11
SCHEMBL4127933 1.00 CA1 (0.46) CA1CA2CA4SLC6A12SLC6A11
SCHEMBL25662275 1.00 CA1 (0.46) CA1CA2CA4SLC6A12SLC6A11
SCHEMBL4112859 1.00 CA1 (0.46) CA1CA2CA4SLC6A12SLC6A11
SCHEMBL7323358 1.00 CA1 (0.46) CA1CA2CA4SLC6A12SLC6A11
SCHEMBL19336874 1.00 CA1 (0.46) CA1CA2CA4SLC6A12SLC6A11
SCHEMBL4120941 0.95 SLC6A12 (0.44) CA1CA2CA4SLC6A12SLC6A11
SCHEMBL9294224 0.95 SLC6A12 (0.44) CA1CA2CA4SLC6A12SLC6A11
SCHEMBL4120944 0.95 SLC6A12 (0.44) CA1CA2CA4SLC6A12SLC6A11

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-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 CA1 1428/4885CA2 1612/4885CA4 2829/4885

“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.