SCHEMBL26061393

SCHEMBL26061393

CCCCC(C)c1ccc(C#N)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2A6 P11509 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34
CYP19A1 P11511 4/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
GRM2 Q14416 1/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
MGLL Q99685 1/20 0.32
AURKA O14965 1/20 0.32
GRK6 P43250 1/20 0.32

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
SCHEMBL19853004 0.94 KDM4E (0.49) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL21024658 0.90 KDM4E (0.40) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL19464638 0.86 KDM4E (0.46) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL16311933 0.83 ALDH1A1 (0.41) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL22363287 0.82 KDM4E (0.49) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL19059398 0.81 KDM4E (0.48) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL25573950 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL19987500 0.79 ALDH1A1 (0.41) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL21078327 0.77 KDM4E (0.40) KDM4EALDH1A1HPGDPTGESALOX5
SCHEMBL19003579 0.76 KDM4E (0.40) KDM4EALDH1A1HPGDL3MBTL1HTT

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-20230250129-A1 NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS, INC. 2023-08-10 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-20230250129-A1 NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF MC2R, NR3C2, AVPR1B KDM4E 2318/4885ALDH1A1 1664/4885HPGD 2158/4885

“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.