SCHEMBL23901016

SCHEMBL23901016

CCSc1cccc(CC(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.49
MAOA P21397 2/20 0.49
PTGS2 P35354 1/20 0.43
PNMT P11086 1/20 0.42
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
EPHX2 P34913 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL18893508 0.82 MAOA (0.49) SLC6A4MAOAPNMTGABRA1GABRB2
SCHEMBL5018830 0.81 SLC6A4 (0.46) SLC6A4MAOAPNMTGABRA1GABRB2
SCHEMBL12251567 0.80 TP53 (0.42) SLC6A4MAOAPTGS2EPHX2
SCHEMBL23901093 0.79 GABRA1 (0.39) SLC6A4MAOAPNMTCTSSCTSK
SCHEMBL25144725 0.78 MAOA (0.36) SLC6A4MAOAPNMTGABRA1GABRB2
SCHEMBL18599185 0.78 SLC6A4 (0.40) SLC6A4MAOAPTGS2PNMTCTSS
SCHEMBL11503378 0.78 SLC6A4 (0.56) SLC6A4MAOAPNMTGABRA1GABRB2
SCHEMBL8539519 0.77 GABRA1 (0.50) SLC6A4MAOAPNMTCTSSCTSK
SCHEMBL21531822 0.77 HTR2C (0.42) SLC6A4MAOAPTGS2CTSSCTSK
SCHEMBL7674706 0.77 PTGS2 (0.42) SLC6A4MAOAPTGS2EPHX2

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-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-12 US disclosed
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-05 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-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 SLC6A4 4302/4885MAOA 2342/4885PTGS2 4312/4885
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP DAO, DDO, DCLRE1A SLC6A4 1138/4885MAOA 703/4885PTGS2 2819/4885
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 SLC6A4 3673/4885MAOA 4046/4885PTGS2 3672/4885

“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.