SCHEMBL23901093

SCHEMBL23901093

CC(C)Cc1cccc(SC(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
PNMT P11086 1/20 0.39
TAAR1 Q96RJ0 4/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 2/20 0.36
MAOA P21397 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
HTR2C P28335 3/20 0.36
HTR2A P28223 2/20 0.36
HTR2B P41595 2/20 0.36
ALOX5 P09917 1/20 0.36
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
HTR6 P50406 1/20 0.33

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
SCHEMBL5018830 0.82 SLC6A4 (0.46) GABRA1GABRB2PNMTTAAR1SLC6A4
SCHEMBL22446620 0.82 TAAR1 (0.40) PNMTTAAR1SLC6A4SLC6A2MAOA
SCHEMBL11503378 0.79 SLC6A4 (0.56) GABRA1GABRB2PNMTTAAR1SLC6A4
SCHEMBL23901016 0.79 SLC6A4 (0.49) GABRA1GABRB2PNMTTAAR1SLC6A4
SCHEMBL8539519 0.79 GABRA1 (0.50) GABRA1GABRB2PNMTTAAR1SLC6A4
SCHEMBL17449716 0.77 HTR2A (0.44) GABRA1GABRB2PNMTTAAR1SLC6A4
SCHEMBL18893508 0.77 MAOA (0.49) GABRA1GABRB2PNMTTAAR1SLC6A4
SCHEMBL24025403 0.75 SLC6A4 (0.45) SLC6A4SLC6A2MAOASLC6A3HTR2A
SCHEMBL21323464 0.75 IDO1 (0.40) SLC6A3HTR2CHTR2AHTR2B
SCHEMBL5381369 0.74 ENPP2 (0.36)

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-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-08-03 US disclosed
US-20230057350-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-02-23 US disclosed
US-20210308277-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-10-07 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 (3 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-20230057350-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS BTN3A1, ANTXR2, CLTA GABRA1 410/4885GABRB2 447/4885PNMT 538/4885
US-20210308277-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS CD2BP2, DCLRE1A, EPCAM GABRA1 1411/4885GABRB2 1214/4885PNMT 760/4885
US-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS CD4, DCLRE1A, TOP1 GABRA1 3480/4885GABRB2 4144/4885PNMT 2580/4885

“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.