SCHEMBL5324378

SCHEMBL5324378

NC(CCCc1ccc2ccccc2c1)CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
S1PR2 O95136 1/20 0.51
S1PR1 P21453 1/20 0.51
HDAC1 Q13547 2/20 0.48
GRIN2D O15399 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
SLC13A5 Q86YT5 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
HCAR2 Q8TDS4 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MC4R P32245 1/20 0.44
MC5R P33032 1/20 0.44
MC1R Q01726 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
SCHEMBL5320128 0.91 CYP1A2 (0.56) CYP1A2S1PR2S1PR1HDAC1HDAC8
SCHEMBL1669596 0.83 S1PR2 (0.60) S1PR2S1PR1HDAC1HDAC8
SCHEMBL27453353 0.83 S1PR2 (0.60) S1PR2S1PR1HDAC1HDAC8
SCHEMBL5325659 0.82 CYP1A2 (0.60) CYP1A2HDAC1GRIN2DGRIN2AGRIN2B
SCHEMBL29478398 0.82 HTR2A (0.56) CYP1A2SLC13A5SLC1A3SLC1A2SLC1A1
SCHEMBL2031075 0.82 HTR2A (0.56) CYP1A2SLC13A5SLC1A3SLC1A2SLC1A1
SCHEMBL1926831 0.82 HTR2A (0.56) CYP1A2SLC13A5SLC1A3SLC1A2SLC1A1
SCHEMBL29486919 0.82 HTR2A (0.56) CYP1A2SLC13A5SLC1A3SLC1A2SLC1A1
SCHEMBL289148 0.82 HTR2A (0.56) CYP1A2SLC13A5SLC1A3SLC1A2SLC1A1
SCHEMBL29478380 0.82 HTR2A (0.56) CYP1A2SLC13A5SLC1A3SLC1A2SLC1A1

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 CYP1A2 4851/4885S1PR2 1899/4885S1PR1 1718/4885

“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.