SCHEMBL5324786

SCHEMBL5324786

NC(CCC(=O)O)Cc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
CTNNB1 P35222 1/20 0.54
MC4R P32245 1/20 0.51
MC5R P33032 1/20 0.51
MC1R Q01726 1/20 0.51
FOLH1 Q04609 1/20 0.49
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
CYP1A2 P05177 1/20 0.48
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46
CMA1 P23946 1/20 0.45
TACR1 P25103 1/20 0.44
METAP2 P50579 1/20 0.43
MTNR1A P48039 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
KMT2A Q03164 1/20 0.42
MME P08473 1/20 0.41
ACE P12821 1/20 0.41

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
SCHEMBL289201 1.00 TDP1 (0.54) TDP1CTNNB1MC4RMC5RMC1R
SCHEMBL5323915 0.87 TDP1 (0.53) TDP1CTNNB1MC4RMC5RMC1R
SCHEMBL1927058 0.84 TDP1 (0.57) TDP1CTNNB1SLC1A3SLC1A2SLC1A1
SCHEMBL29568355 0.84 TDP1 (0.57) TDP1CTNNB1SLC1A3SLC1A2SLC1A1
SCHEMBL2027675 0.84 TDP1 (0.57) TDP1CTNNB1SLC1A3SLC1A2SLC1A1
SCHEMBL29478371 0.84 TDP1 (0.57) TDP1CTNNB1SLC1A3SLC1A2SLC1A1
SCHEMBL289220 0.84 TDP1 (0.57) TDP1CTNNB1SLC1A3SLC1A2SLC1A1
SCHEMBL29478364 0.84 TDP1 (0.57) TDP1CTNNB1SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL1926014 0.83 TDP1 (0.56) TDP1CTNNB1SLC1A3SLC1A2SLC1A1
SCHEMBL4665442 0.81 TACR1 (0.48) TDP1CTNNB1SLC1A3SLC1A2SLC1A1

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-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 US disclosed
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 WO 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-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 TDP1 3112/4885CTNNB1 1398/4885MC4R 993/4885

“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.