SCHEMBL17755397

SCHEMBL17755397

CC(C)(C)CCCNC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
KDM4E B2RXH2 1/20 0.57
EPHX2 P34913 2/20 0.52
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.47
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
LMNA P02545 1/20 0.45
HSD11B1 P28845 2/20 0.45
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
GLA P06280 1/20 0.42
CACNA1H O95180 1/20 0.42

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
SCHEMBL16064965 0.90 HTT (0.60) HTTKDM4EEPHX2KMT2AMEN1
SCHEMBL17702625 0.81 KMT2A (0.70) HTTKDM4EEPHX2KMT2AMEN1
SCHEMBL16064957 0.80 HTT (0.54) HTTKDM4EKMT2AMEN1LMNA
SCHEMBL12422575 0.79 KDM4E (0.58) HTTKDM4EEPHX2KMT2AMEN1
SCHEMBL20999491 0.79 KDM4E (0.63) HTTKDM4EEPHX2KMT2AMEN1
SCHEMBL27004615 0.78 HTT (0.62) HTTKDM4EEPHX2KMT2AMEN1
SCHEMBL11513574 0.77 ALDH1A1 (0.57) HTTKDM4EEPHX2KMT2AMEN1
SCHEMBL17703651 0.77 KDM4E (0.57) HTTKDM4EEPHX2KMT2AMEN1
SCHEMBL19426816 0.76 KDM4E (0.59) HTTKDM4EEPHX2KMT2AMEN1
Hydrochloric Acid SCHEMBL11516217 0.76 ALDH1A1 (0.59) HTTKDM4EEPHX2KMT2AMEN1

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-20160136233-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARM INC (US) 2016-05-19 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-20160136233-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION HAVCR2, CHP1, MAVS HTT 2563/4885KDM4E 4305/4885EPHX2 3202/4885

“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.