SCHEMBL16138558

SCHEMBL16138558

CC(=O)NC1CCCC(CC(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ATM Q13315 2/20 0.40
EPHX1 P07099 4/20 0.39
TLR4 O00206 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 2/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CPB2 Q96IY4 1/20 0.34
PTGES O14684 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
SCHEMBL20112900 0.84 ATM (0.46) ALDH1A1KDM4EATMEPHX1TLR4
SCHEMBL24449811 0.84 ATM (0.46) ALDH1A1KDM4EATMEPHX1TLR4
SCHEMBL24448966 0.84 HPGD (0.41) EPHX1SMN1; SMN2GAARAB9AHPGD
SCHEMBL24449510 0.84 EPHX1 (0.44) ALDH1A1KDM4EATMEPHX1SMN1; SMN2
SCHEMBL24449443 0.81 EPHX1 (0.49) ALDH1A1KDM4EEPHX1KMT2A
SCHEMBL24724954 0.81 EPHX1 (0.49) ALDH1A1KDM4EEPHX1KMT2A
SCHEMBL12424257 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EATMEPHX1TLR4
SCHEMBL23081205 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EATMEPHX1TLR4
SCHEMBL2450437 0.80 GRM5 (0.45) SMN1; SMN2RAB9AHPGDKMT2ACA12
SCHEMBL25117765 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EATMEPHX1TLR4

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-20140296201-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 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-20140296201-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 ALDH1A1 2831/4885KDM4E 3544/4885ATM 4303/4885

“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.