SCHEMBL9548959

SCHEMBL9548959

O=C(O)Cc1ccc2c(c1)SCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.51
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
RGS12 O14924 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
GNAI1 P63096 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41

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
SCHEMBL1861656 0.87 AKR1B1 (0.50) AKR1B1KDM4EMAPTHPGDHSD17B10
SCHEMBL25569805 0.85 AKR1B1 (0.38) AKR1B1KDM4EMAPTHPGDHSD17B10
SCHEMBL25569811 0.83 AKR1B1 (0.36) AKR1B1KDM4EMAPTHPGDHSD17B10
SCHEMBL25569855 0.81 AKR1B1 (0.36) AKR1B1MAPTHPGDLMNAPOLB
SCHEMBL7241941 0.79 GRIN2B (0.33) AKR1B1MAPTHPGDHSD17B10LMNA
SCHEMBL25569860 0.78 MTNR1A (0.40) AKR1B1MAPTGAAALDH1A1
SCHEMBL9838345 0.78 AKR1B1 (0.48) AKR1B1KDM4EMAPTHPGDHSD17B10
SCHEMBL25569856 0.77 HDAC4 (0.37) AKR1B1KDM4EMAPTHSD17B10LMNA
SCHEMBL12694254 0.75 CTSL (0.43) KDM4EMAPTHPGDHSD17B10LMNA
SCHEMBL12296552 0.75 IDO1 (0.36) MAPTLMNA

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 3 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
WO-1993012754-A2 TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS ABBOTT LABORATORIES (US) 1993-07-08 WO 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 AKR1B1 3863/4885KDM4E 2362/4885MAPT 63/4885

“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.