SCHEMBL23219398

SCHEMBL23219398

CC(C)(C)c1csc(CC(C)(C)c2cccs2)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.36
ESR1 P03372 1/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
KIF11 P52732 1/20 0.33
CYP19A1 P11511 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRM3 P20309 2/20 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
SCHEMBL22096412 0.76 KIF11 (0.44) LMNAMAPTHTTKIF11
SCHEMBL22096311 0.76 ACLY (0.35) ACLYESR1CNR1CNR2LMNA
SCHEMBL11922137 0.74 GABRA1 (0.30)
SCHEMBL25440558 0.71
SCHEMBL22147282 0.70 PON1 (0.40) ACLYESR1CNR1CNR2LMNA
SCHEMBL26746359 0.70 CYP1A1 (0.35) ACLYESR1CNR1CNR2LMNA
SCHEMBL20182530 0.70 ACLY (0.33) ACLYESR1CNR1CNR2
SCHEMBL20327695 0.69 ACLY (0.32) ACLY
SCHEMBL18798721 0.69
SCHEMBL1755694 0.68 DAO (0.44) LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 US disclosed
US-10978255-B2 Bichromic bipodal triphenylamine-based dyes with high photo-electron conversion at low light intensities KOIVISTO BRYAN (CA) 2021-04-13 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-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE NT5C3B, NT5E, NT5C2 ACLY 2239/4885ESR1 3786/4885CNR1 4045/4885

“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.