SCHEMBL5323915

SCHEMBL5323915

NC(CCC(=O)O)CCc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
MC4R P32245 1/20 0.50
MC5R P33032 1/20 0.50
MC1R Q01726 1/20 0.50
MTNR1A P48039 1/20 0.49
FFAR1 O14842 1/20 0.48
AKR1B1 P15121 1/20 0.48
S1PR2 O95136 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
CYP1A2 P05177 1/20 0.47
CTNNB1 P35222 1/20 0.46
FOLH1 Q04609 1/20 0.46
METAP2 P50579 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
CMA1 P23946 1/20 0.44
COPS5 Q92905 1/20 0.44

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
SCHEMBL5324786 0.87 TDP1 (0.54) TDP1MC4RMC5RMC1RMTNR1A
SCHEMBL5329872 0.87 TDP1 (0.54) TDP1MTNR1AS1PR2S1PR1SLC1A3
SCHEMBL289201 0.87 TDP1 (0.54) TDP1MC4RMC5RMC1RMTNR1A
SCHEMBL30307853 0.81 TDP1 (0.67) TDP1MTNR1AFFAR1AKR1B1CYP1A2
SCHEMBL1218835 0.81 TDP1 (0.67) TDP1MTNR1AFFAR1AKR1B1CYP1A2
SCHEMBL5324039 0.80 SLC1A3 (0.54) TDP1MTNR1ASLC1A3SLC1A2SLC1A1
SCHEMBL5326561 0.79 S1PR2 (0.65) FFAR1S1PR2S1PR1S1PR3
Hydrochloric Acid SCHEMBL11319694 0.79 TDP1 (0.65) TDP1MTNR1AFFAR1AKR1B1CYP1A2
SCHEMBL288869 0.79 S1PR2 (0.65) FFAR1S1PR2S1PR1S1PR3
SCHEMBL5340826 0.79 S1PR2 (0.54) FFAR1S1PR2S1PR1S1PR3FFAR4

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 3112/4885MC4R 993/4885MC5R 558/4885

“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.