SCHEMBL6820708

SCHEMBL6820708

CC(C)(C)C1CSc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.33
DRD1 P21728 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 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
SCHEMBL15908278 0.81 KMT2A (0.43) TDP1MEN1KMT2ANPC1USP2
SCHEMBL13453317 0.72 ALDH1A1 (0.50) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL12156616 0.72 ALDH1A1 (0.50) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL23032028 0.72 HCRTR1 (0.30)
SCHEMBL13059128 0.72 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL12264368 0.71 ALDH1A1 (0.36) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL22413569 0.71 DRD2 (0.42) ALDH1A1MAPTTDP1NPC1
SCHEMBL8367487 0.69 ALDH1A1 (0.33) ALDH1A1MAPTHPGDALOX12TDP1
SCHEMBL9826854 0.69 HTR2A (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL13047369 0.69 HTR2A (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT

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-8183280-B2 FAP inhibitors VANTIA LIMITED (GB) 2012-05-22 US disclosed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 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-20100081701-A1 FAP inhibitors FAP, APC, SERPINB1 SLC6A2 4784/4885SLC6A4 4730/4885SLC6A3 4850/4885

“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.