SCHEMBL23964496

SCHEMBL23964496

CC(C)(C)Cc1cccc(C#CC#N)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
CYP2D6 P10635 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
GLA P06280 1/20 0.36
FFAR1 O14842 1/20 0.34
IDH1 O75874 1/20 0.33
ESR1 P03372 1/20 0.32
PTGES O14684 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL6964908 0.82 GLA (0.50) ATMNR3C1NR3C2HRH3GLA
SCHEMBL23974176 0.79 ESR1 (0.45) HRH3ESR1
SCHEMBL16346512 0.75 TSHR (0.38) FFAR1
SCHEMBL17103543 0.75 ESR1 (0.36) ATMNR3C1NR3C2CYP2D6HRH3
SCHEMBL19174306 0.74 CYP1A1 (0.39)
SCHEMBL13158607 0.73 PTGES (0.50) FFAR1PTGESCYP19A1
SCHEMBL16341408 0.71 CYP3A4 (0.44) FFAR1
SCHEMBL6109806 0.69 SLC6A2 (0.52) ATMNR3C1NR3C2HRH3GLA
SCHEMBL23621741 0.69 KIF11 (0.47) HRH3CYP11B2
SCHEMBL13788312 0.68 GLA (0.46) NR3C1NR3C2HRH3GLAIDH1

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-20210330798-A1 TREATMENT OF INFECTIONS ASCENDIS PHARMA A/S (DK) 2021-10-28 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-20210330798-A1 TREATMENT OF INFECTIONS H1-10, PM20D2, ELANE ATM 4381/4885NR3C1 3217/4885NR3C2 2610/4885

“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.