SCHEMBL26007787

SCHEMBL26007787

CCC(C)c1ccn(CC)c(=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ACACB O00763 1/20 0.39
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PI4KA P42356 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ PTGS2 P35354 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 2/20 0.33

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
SCHEMBL21146530 0.85 HDAC4 (0.39) HDAC4HDAC2HDAC8ALDH1A1USP2
SCHEMBL14501877 0.85 ACACB (0.40) HDAC4HDAC2HDAC8ALDH1A1HPGD
SCHEMBL21484164 0.83 ACACB (0.36) HDAC4HDAC2HDAC8ACACBPIK3CD
SCHEMBL25884992 0.80 HDAC4 (0.45) HDAC4HDAC2HDAC8ALDH1A1USP2
SCHEMBL12640089 0.71 PIK3CD (0.41) ALDH1A1ACACBPIK3CDPIK3CAPIK3CB
SCHEMBL24168116 0.69 PIK3CD (0.40) ALDH1A1ACACBPIK3CDPIK3CAPIK3CB
SCHEMBL589531 0.69 PIK3CD (0.40) ALDH1A1ACACBPIK3CDPIK3CAPIK3CB
SCHEMBL18951893 0.69 PIK3CD (0.40) ALDH1A1ACACBPIK3CDPIK3CAPIK3CB
SCHEMBL20417807 0.69 PIK3CD (0.47) ALDH1A1GAAHPGDALOX15HSD17B10
SCHEMBL23505897 0.69 AOC3 (0.42) ALDH1A1ACACBPIK3CDPIK3CAPIK3CB

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-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 — — 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-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, CHEK2 HDAC4 4195/4885HDAC2 2717/4885HDAC8 3543/4885

“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.

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