SCHEMBL23265293

SCHEMBL23265293

CC(C)c1cc(CC(=O)O)ccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.48
RXRG P48443 2/20 0.48
RXRB P28702 1/20 0.48
SLC22A12 Q96S37 2/20 0.44
KDM4E B2RXH2 4/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 4/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 3/20 0.42
TSHR P16473 3/20 0.42
NFKB1 P19838 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
RGS12 O14924 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
GNAI1 P63096 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL29180205 0.80 RXRA (0.55) RXRARXRGRXRBSLC22A12KDM4E
SCHEMBL20315028 0.80 HPGD (0.50) KDM4EHPGDHSD17B10MAPTGAA
SCHEMBL18179360 0.78 CYP2A6 (0.44) KDM4EHPGDMAPTTSHRLMNA
SCHEMBL4945325 0.77 GAA (0.61) KDM4EHPGDHSD17B10MAPTGAA
SCHEMBL21566201 0.77 KDM4E (0.47) RXRARXRGRXRBSLC22A12KDM4E
SCHEMBL13571375 0.77 LOXL2 (0.42) KDM4EALDH1A1
SCHEMBL28248932 0.77 MAOB (0.36) SLC22A12KDM4EHPGDHSD17B10MAPT
SCHEMBL11813521 0.77 CYP11B1 (0.37) KDM4ETDP1
SCHEMBL28248977 0.77 MAOB (0.36) KDM4EHPGDHSD17B10TSHRALDH1A1
SCHEMBL2731330 0.76 FFAR1 (0.48) RXRARXRGRXRBSLC22A12KDM4E

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-20210112808-A1 OVERPOWERED ABA RECEPTOR AGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-04-22 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-20210112808-A1 OVERPOWERED ABA RECEPTOR AGONISTS BROX, AVPR1A, NPBWR1 RXRA 319/4885RXRG 255/4885RXRB 348/4885

“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.