SCHEMBL2404979

SCHEMBL2404979

CC(=Cc1ccc(C=O)o1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 6/20 0.45
POLB P06746 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
PRSS1 P07477 1/20 0.45
TMPRSS15 P98073 1/20 0.45
KDM4E B2RXH2 4/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
NR4A2 P43354 1/20 0.40

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
SCHEMBL2404976 1.00 AKR1C3 (0.47) AKR1C3KMT2AALDH1A1POLBL3MBTL1
SCHEMBL7269702 0.81 MAPT (0.66) AKR1C3KMT2AALDH1A1POLBL3MBTL1
SCHEMBL8824420 0.81 MAPT (0.66) AKR1C3KMT2AALDH1A1POLBL3MBTL1
SCHEMBL29088436 0.74 PRSS1 (0.49) AKR1C3KMT2AALDH1A1POLBL3MBTL1
SCHEMBL7743026 0.74 ALDH1A1 (0.50) KMT2AALDH1A1POLBL3MBTL1TDP1
SCHEMBL51391 0.73
Urea SCHEMBL23160877 0.72 ALDH1A1 (0.52) ALDH1A1POLBL3MBTL1TDP1HTT
SCHEMBL29088394 0.72 KMT2A (0.39) AKR1C3KMT2AALDH1A1POLBL3MBTL1
SCHEMBL28576319 0.71 ALDH1A1 (0.54) KMT2AALDH1A1POLBL3MBTL1TDP1
SCHEMBL28562831 0.71 ALDH1A1 (0.54) KMT2AALDH1A1POLBL3MBTL1TDP1

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-20110212943-A1 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-09-01 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-20110212943-A1 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 AKR1C3 847/4885KMT2A 328/4885ALDH1A1 1442/4885

“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.