SCHEMBL5054589

SCHEMBL5054589

COP(=O)(CCCCCCCCCCCCCCCCCCOc1ccccc1)OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.55
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 3/20 0.50
PKM P14618 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
HTR1B P28222 2/20 0.49
FDPS P14324 3/20 0.48
LTA4H P09960 2/20 0.46
HTR1D P28221 1/20 0.46

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
SCHEMBL5353651 0.93 KCNA3 (0.54) KCNA3HDAC1HDAC2PKMHDAC3
SCHEMBL11154502 0.87 PKM (0.59) KCNA3PKMHTR1BFDPSLTA4H
SCHEMBL5053396 0.83 KCNA3 (0.52) KCNA3HDAC1HDAC2PKMHDAC3
SCHEMBL21992785 0.79 KCNA3 (0.73) KCNA3HDAC1HDAC2PKMHDAC3
SCHEMBL26382700 0.79 KCNA3 (0.73) KCNA3HDAC1HDAC2PKMHDAC3
SCHEMBL17476344 0.79 KCNA3 (0.59) KCNA3HDAC1HDAC2PKMHDAC3
SCHEMBL17476340 0.79 KCNA3 (0.59) KCNA3HDAC1HDAC2PKMHDAC3
SCHEMBL5053425 0.79 KCNA3 (0.59) KCNA3HDAC1HDAC2PKMHDAC3
SCHEMBL17476331 0.79 KCNA3 (0.59) KCNA3HDAC1HDAC2PKMHDAC3
SCHEMBL11436349 0.79 KCNA3 (0.59) KCNA3HDAC1HDAC2PKMHDAC3

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-20080275273-A1 Method for Synthesizing Long-Chain Phosphonic Acid Derivatives and Thiol Derivatives QIMONDA AG (DE) 2008-11-06 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-20080275273-A1 Method for Synthesizing Long-Chain Phosphonic Acid Derivatives and Thiol Derivatives TST, PORCN, PHOSPHO1 KCNA3 4871/4885HDAC1 4220/4885HDAC2 4309/4885

“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.