SCHEMBL2882191

SCHEMBL2882191

OCCc1ccc(CC2OCCCO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.43
TDP1 Q9NUW8 1/20 0.40
KIF11 P52732 1/20 0.36
CA1 P00915 3/20 0.36
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX5 P09917 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
BACE1 P56817 1/20 0.35
CYP4F2 P78329 3/20 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
SCHEMBL6224572 0.79 CA2 (0.42) CA2TDP1KIF11CA1CA12
SCHEMBL1773236 0.78 MEN1 (0.41) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL25585 0.78 ALDH1A1 (0.41) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL14166113 0.75 TSHR (0.39) CA2CA1CA12CA4CA6
Methyl Alcohol SCHEMBL28286625 0.74 ALDH1A1 (0.39) ALDH1A1POLBRAB9ASMN1; SMN2HPGD
SCHEMBL12419367 0.74 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL27595482 0.74 ALDH1A1 (0.46) TDP1TSHRALDH1A1KDM4EGAA
SCHEMBL448797 0.74 ALDH1A1 (0.41) ALDH1A1POLBRAB9ASMN1; SMN2HPGD
SCHEMBL2884178 0.73 CA1 (0.34) CA2CA1CA9TSHRALDH1A1
SCHEMBL3950950 0.72 ALDH1A1 (0.40) ALDH1A1POLBRAB9ASMN1; SMN2HPGD

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-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 US disclosed
EP-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 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-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R CA2 4358/4885TDP1 4267/4885KIF11 4585/4885

“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.