SCHEMBL25896641

SCHEMBL25896641

CCC(C)c1ccc2c(c1)N(C)CCC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
RORC P51449 1/20 0.37
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ACHE P22303 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
RRM1 P23921 1/20 0.34
RRM2B Q7LG56 1/20 0.34

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
SCHEMBL13252969 0.84 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL9129040 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL26700310 0.80 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL19819225 0.78 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL14748100 0.76 ALDH1A1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL24023602 0.75 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL2616323 0.75 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL763146 0.74 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL19601657 0.74 RORC (0.44) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL15445211 0.74 XIAP (0.42) ALDH1A1HPGDRORCHSD17B10

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-11713322-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer CAPELLA THERAPEUTICS, INC. (US) 2023-08-01 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-11713322-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer ERBB2, ERBB4, ERBB3 ALDH1A1 1322/4885MEN1 3758/4885KMT2A 2060/4885

“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.