SCHEMBL25569855

SCHEMBL25569855

O=C(Cc1ccc2c(c1)SCC2)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.36
FAAH O00519 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HPGD P15428 1/20 0.32
GRM1 Q13255 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL9548959 0.81 AKR1B1 (0.51) AKR1B1ALDH1A1MAPTHPGDMEN1
SCHEMBL25569811 0.81 AKR1B1 (0.36) AKR1B1ALDH1A1CYP1A2MAPTCYP2C19
SCHEMBL25569805 0.80 AKR1B1 (0.38) AKR1B1ALDH1A1CYP1A2MAPTCYP2C19
SCHEMBL7241941 0.74 GRIN2B (0.33) AKR1B1MAPTHPGDLMNA
SCHEMBL25569860 0.73 MTNR1A (0.40) AKR1B1ALDH1A1MAPTGAA
SCHEMBL25569856 0.72 HDAC4 (0.37) AKR1B1FAAHALDH1A1MAPTMEN1
SCHEMBL12694254 0.71 CTSL (0.43) ALDH1A1CYP1A2MAPTCYP2C19HPGD
SCHEMBL12296552 0.71 IDO1 (0.36) MAPTLMNA
SCHEMBL1861656 0.69 AKR1B1 (0.50) AKR1B1ALDH1A1MAPTHPGDMEN1
SCHEMBL25569783 0.69 LMNA (0.35) AKR1B1ALDH1A1MAPTLMNA

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 AKR1B1 3863/4885FAAH 769/4885ALDH1A1 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.