SCHEMBL3416093

SCHEMBL3416093

CC(C)(C)OC(=O)NCc1cc(-c2cccc(C(=O)O)c2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.47
EPHX2 P34913 1/20 0.46
ERN1 O75460 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
RXRA P19793 2/20 0.44
RXRB P28702 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
HPGD P15428 2/20 0.41
KMO O15229 1/20 0.41
HPN P05981 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.41
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL3415342 0.90 ERN1 (0.52) HDAC1ERN1HPNMAPK1
SCHEMBL3415307 0.86 PPARD (0.63) HDAC1PPARDPPARAPPARGEPHX2
SCHEMBL2570189 0.84 HDAC1 (0.63) HDAC1EPHX2LMNAGAARXRA
SCHEMBL16397304 0.83 FNTA (0.55) HDAC1EPHX2RXRARXRBKMO
SCHEMBL31710569 0.82 KCNA5 (0.50) HDAC1PPARDPPARAPPARGEPHX2
SCHEMBL3413751 0.81 HDAC1 (0.49) HDAC1GAANR1H2NR1H3HPN
SCHEMBL4953918 0.81 ACLY (0.56) HDAC1EPHX2KDM4A
SCHEMBL3417361 0.81 HDAC1 (0.46) HDAC1PPARDPPARALMNAHPGD
SCHEMBL28646590 0.79 HDAC1 (0.59) HDAC1HPNKDM4A
SCHEMBL29945064 0.78 HDAC1 (0.45) HDAC1HPNSMN1; SMN2KDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR HDAC1 227/4885PPARD 689/4885PPARA 130/4885

“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.