SCHEMBL25147339

SCHEMBL25147339

CCC1CCCC(NC(=O)C(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 1/20 0.40
EPHX1 P07099 3/20 0.38
CASP6 P55212 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
FASN P49327 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.35
EPHX2 P34913 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL24448893 0.84 BTK (0.37) KAT8EPHX1HPGDKMT2AFASN
SCHEMBL12845069 0.82 EPHX1 (0.40) EPHX1KDM4EHPGDKMT2AALDH1A1
SCHEMBL2454893 0.81 HPGD (0.40) EPHX1CASP6HPGDKMT2ASMYD3
SCHEMBL23137863 0.81 EPHX1 (0.39) EPHX1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL2450674 0.81 HPGD (0.39) EPHX1CASP6HPGDKMT2ASMYD3
SCHEMBL23081205 0.81 ALDH1A1 (0.49) KAT8EPHX1KDM4EHPGDKMT2A
SCHEMBL12424257 0.81 ALDH1A1 (0.49) KAT8EPHX1KDM4EHPGDKMT2A
SCHEMBL8275256 0.80 ATM (0.48) EPHX1KDM4ESMN1; SMN2ALDH1A1ATM
SCHEMBL25444533 0.80 HPGD (0.40) EPHX1HPGDKMT2ASMYD3SMN1; SMN2
SCHEMBL25117761 0.80 HPGD (0.40) EPHX1HPGDKMT2ASMYD3SMN1; SMN2

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-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-04-20 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-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF PPID, PPIF, PPIL1 KAT8 3164/4885EPHX1 737/4885CASP6 817/4885

“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.