SCHEMBL26501026

SCHEMBL26501026

CC(C)CCNCCC(=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
ANPEP P15144 3/20 0.35
RNPEP Q9H4A4 2/20 0.35
DNPEP Q9ULA0 2/20 0.35
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR1 P21554 1/20 0.32
HPGD P15428 1/20 0.32
GLB1 P16278 1/20 0.31
POLB P06746 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4C Q9H3R0 2/20 0.30
KDM4A O75164 1/20 0.30
PHF8 Q9UPP1 1/20 0.30

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
SCHEMBL13588705 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL18251527 0.80 GABRP (0.43) CA1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL20085628 0.80 PAOX (0.39) CA1ANPEPRNPEPDNPEPRAB9A
SCHEMBL12762408 0.80 CYP2C19 (0.39) CA1ANPEPALDH1A1CYP2C19
SCHEMBL12835748 0.77 CYP2C19 (0.36) ALDH1A1CYP2C19
SCHEMBL25132316 0.77 ARG1 (0.32)
SCHEMBL13588703 0.77 PAOX (0.35)
SCHEMBL3549261 0.77 LMNA (0.40) CA1ANPEPRNPEPDNPEPRAB9A
SCHEMBL13995401 0.77 CA12 (0.49) CA1ALDH1A1LMNAL3MBTL1
SCHEMBL29268694 0.77 CA1 (0.61) CA1ANPEPRNPEPDNPEP

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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-12 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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF KRAS, MDM2, NRAS CA1 3998/4885ANPEP 3668/4885RNPEP 3739/4885

“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.