SCHEMBL23397121

SCHEMBL23397121

CC(C)(C)OC(=O)Cn1ccc(C(=O)OCc2ccccc2)cc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
RAB9A P51151 6/20 0.44
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
MCHR1 Q99705 3/20 0.44
HDAC6 Q9UBN7 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
JMJD6 Q6NYC1 1/20 0.43
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.41
MAPK14 Q16539 1/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
SRD5A1 P18405 1/20 0.39

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
SCHEMBL5069169 0.84 PPARD (0.44) KMT2ATDP1SLC6A2SLC6A3RAB9A
SCHEMBL15023570 0.83 LMNA (0.47) KMT2ATDP1SLC6A2SLC6A3RAB9A
SCHEMBL7641512 0.82 MAPK14 (0.62) MCHR1MAPK14
SCHEMBL20592531 0.81 HDAC6 (0.52) KMT2ARAB9ANPC1ALDH1A1MCHR1
SCHEMBL1254414 0.80 MAPK14 (0.58) KMT2ATDP1SLC6A2SLC6A3RAB9A
SCHEMBL6282265 0.77 RAB9A (0.45) RAB9ANPC1ALDH1A1LMNAHDAC6
SCHEMBL7644358 0.76 HDAC6 (0.54) KMT2AALDH1A1LMNAMAPTMCHR1
SCHEMBL18703879 0.74 MAOB (0.52) KMT2ATDP1SLC6A2SLC6A3RAB9A
SCHEMBL7638300 0.74 HDAC6 (0.47) ALDH1A1MCHR1HDAC6KDM4E
SCHEMBL20487896 0.74 MAPT (0.42) KMT2ATDP1SLC6A2SLC6A3RAB9A

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-11014963-B2 Trifluoromethylpropanamide derivatives as HTRA1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-05-25 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-11014963-B2 Trifluoromethylpropanamide derivatives as HTRA1 inhibitors HTRA1, HTR3E, HTR1F KMT2A 1252/4885TDP1 276/4885SLC6A2 1222/4885

“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.