SCHEMBL25569823

SCHEMBL25569823

CCCC(=O)c1ccc2c(c1)SCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.47
HSD17B3 P37058 1/20 0.45
CTNNB1 P35222 4/20 0.43
WNT3A P56704 4/20 0.43
MAPT P10636 4/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38

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
SCHEMBL25569790 0.88 HPGD (0.47) HPGDHSD17B3CTNNB1WNT3AMAPT
SCHEMBL25569816 0.88 ATM (0.44) HPGDCTNNB1WNT3AMAPTALDH1A1
SCHEMBL12676625 0.83 CTNNB1 (0.40) CTNNB1WNT3AMAPTALDH1A1NPC1
SCHEMBL25569462 0.81 CTNNB1 (0.35) HPGDCTNNB1WNT3AMAPTALDH1A1
SCHEMBL10691604 0.79 HPGD (0.44) HPGDHSD17B3CTNNB1WNT3AMAPT
SCHEMBL7085094 0.78 HSD17B3 (0.49) HSD17B3STS
SCHEMBL3348087 0.76 KDM1A (0.43) HSD17B3MAPTALDH1A1GAAKDM4E
SCHEMBL25569825 0.75 MAPT (0.35) CTNNB1WNT3AMAPTALDH1A1NPC1
SCHEMBL10687927 0.75 ATM (0.44) HPGDCTNNB1WNT3AMAPTALDH1A1
SCHEMBL24197468 0.73 MAPT (0.34) HPGDMAPTALDH1A1SMN1; SMN2NPC1

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 HPGD 1883/4885HSD17B3 406/4885CTNNB1 2458/4885

“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.