SCHEMBL21666580

SCHEMBL21666580

CC(C)(C)c1ccc(C(C)(C)C(=O)OCc2ccccc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
PTPN1 P18031 5/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
PTPRC P08575 2/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAOB P27338 2/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL21666421 0.92 ALDH1A1 (0.43) ALDH1A1PTPN1CHRM2CHRM4CHRM5
SCHEMBL22752410 0.82 ALDH1A1 (0.46) ALDH1A1PTPN1CHRM2CHRM4CHRM5
SCHEMBL20207722 0.82 ALDH1A1 (0.41) ALDH1A1PTPN1CHRM2CHRM4CHRM5
SCHEMBL24722152 0.81 MAOB (0.41) ALDH1A1PTPN1PTPRCLMNAKMT2A
SCHEMBL15910890 0.79 LMNA (0.54) ALDH1A1PTPN1CHRM2CHRM4CHRM1
SCHEMBL12091492 0.78 KMT2A (0.56) ALDH1A1LMNAKMT2ATDP1L3MBTL1
SCHEMBL24904311 0.78 LMNA (0.56) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL13313606 0.78 MAOB (0.59) ALDH1A1LMNAKMT2AL3MBTL1SLC6A2
SCHEMBL24773109 0.76 POLB (0.52) ALDH1A1PTPN1CHRM2CHRM4CHRM5
SCHEMBL23876186 0.76 NPC1 (0.49) ALDH1A1PTPN1PTPRCLMNAKMT2A

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-10550073-B2 Benzamide derivative CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2020-02-04 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-10550073-B2 Benzamide derivative CYP3A5, ABCB1, CYP2D6 ALDH1A1 82/4885PTPN1 4238/4885CHRM2 343/4885

“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.