SCHEMBL19398373

SCHEMBL19398373

COc1cc(C(=O)CCO)cc(C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
LMNA P02545 1/20 0.47
CTNNB1 P35222 2/20 0.45
WNT3A P56704 2/20 0.45
PTGS2 P35354 1/20 0.45
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 3/20 0.44

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
SCHEMBL670168 0.90 PKM (0.58) PKMCA12CA1CA2CA3
SCHEMBL15044147 0.87 PKM (0.50) PKMCA12CA1CA2CA3
SCHEMBL8461664 0.84 ALDH1A1 (0.50) CA1CA2PTGS2KMT2AALDH1A1
SCHEMBL19398376 0.83 PKM (0.50) PKMCA12CA1CA2CA3
SCHEMBL15171963 0.83 PKM (0.46) PKMCA12CA1CA2CA3
SCHEMBL12396894 0.78 LMNA (0.78) PKMCA12CA1CA2CA3
SCHEMBL3230514 0.78 CA12 (0.78) PKMCA12CA1CA2CA3
SCHEMBL15242142 0.76 CA1 (0.53) PKMCA12CA1CA2CA3
SCHEMBL624796 0.76 PKM (0.58) PKMCA12CA1CA2CA3
SCHEMBL402146 0.76 KDM4E (0.55) PKMCA12CA1CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275215-A1 LIGNIN PROCESSING UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2017-09-28 US 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-20170275215-A1 LIGNIN PROCESSING NOX4, SOD1, LPO PKM 3081/4885CA12 961/4885CA1 617/4885

“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.