SCHEMBL25569462

SCHEMBL25569462

CCNCC(=O)c1ccc2c(c1)SCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.35
WNT3A P56704 4/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
HSD17B10 Q99714 3/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
CASP1 P29466 2/20 0.34
ALOX15 P16050 1/20 0.34
CASP7 P55210 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
NR1I3 Q14994 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
SCHEMBL25569816 0.84 ATM (0.44) CTNNB1WNT3AALDH1A1KDM4EMAPT
SCHEMBL25569499 0.83 MAOA (0.31) ALDH1A1KDM4EMAPTHSD17B10NPC1
SCHEMBL25569823 0.81 HPGD (0.47) CTNNB1WNT3AALDH1A1KDM4EMAPT
SCHEMBL12676625 0.79 CTNNB1 (0.40) CTNNB1WNT3AALDH1A1KDM4EMAPT
SCHEMBL24197474 0.76 CHRNA1 (0.34) ALDH1A1KDM4EMAPTHSD17B10NPC1
SCHEMBL24197470 0.75 MAPT (0.33) CTNNB1WNT3AALDH1A1KDM4EMAPT
SCHEMBL25569463 0.74 KDM4E (0.33) ALDH1A1KDM4EMAPTHSD17B10NPC1
SCHEMBL24197468 0.73 MAPT (0.34) ALDH1A1KDM4EMAPTHSD17B10NPC1
SCHEMBL25569466 0.73 KDM4E (0.32) ALDH1A1KDM4EMAPTHSD17B10NPC1
SCHEMBL25569464 0.73 KDM4E (0.32) ALDH1A1KDM4EMAPTHSD17B10NPC1

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-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-05-25 US disclosed
US-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-05-25 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-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT SLC6A3, CREBBP, SLC1A2 CTNNB1 2458/4885WNT3A 1865/4885ALDH1A1 2491/4885

“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.