SCHEMBL25569860

SCHEMBL25569860

CC(C)(C)OC(=O)Cc1ccc2c(c1)SCC2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.40
MTNR1B P49286 5/20 0.40
NR1H2 P55055 1/20 0.34
RIPK1 Q13546 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
AKR1B1 P15121 1/20 0.34
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
HDAC1 Q13547 1/20 0.32
MAPT P10636 1/20 0.32
PDK2 Q15119 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
SCHEMBL25569805 0.83 AKR1B1 (0.38) AKR1B1ALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL7590346 0.79 MTNR1A (0.44) MTNR1AMTNR1BNR1H2RIPK1RIPK3
SCHEMBL9548959 0.78 AKR1B1 (0.51) AKR1B1ALDH1A1GAAMAPT
SCHEMBL25569811 0.77 AKR1B1 (0.36) AKR1B1ALDH1A1MAPT
SCHEMBL20424903 0.75 MTNR1A (0.41) MTNR1AMTNR1BNR1H2RIPK1RIPK3
SCHEMBL25569856 0.75 HDAC4 (0.37) AKR1B1ALDH1A1MAPT
SCHEMBL25569855 0.73 AKR1B1 (0.36) AKR1B1ALDH1A1GAAMAPT
SCHEMBL1863391 0.73 ALDH1A1 (0.47) ALDH1A1GAAGFERMAPTPDK2
SCHEMBL24450547 0.73 ESR1 (0.37) ALDH1A1MAPT
SCHEMBL31173354 0.72 PLAU (0.43) MTNR1AMTNR1B

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 MTNR1A 755/4885MTNR1B 700/4885NR1H2 1601/4885

“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.