SCHEMBL2892667

SCHEMBL2892667

CC(=O)Nc1cccc(C)c1Nc1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
PNLIP P16233 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALOX12 P18054 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CXCL8 P10145 1/20 0.42
ESRRA P11474 1/20 0.42
HTT P42858 1/20 0.41
PYGL P06737 1/20 0.41
PYGM P11217 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 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
SCHEMBL2884687 0.88 L3MBTL1 (0.44) GAAL3MBTL1ALDH1A1HPGDPTGDR2
SCHEMBL2888429 0.86 ESRRA (0.46) L3MBTL1ALDH1A1PTGDR2PNLIPTDP1
SCHEMBL2893274 0.85 PTGDR2 (0.47) L3MBTL1ALDH1A1HPGDPTGDR2PNLIP
SCHEMBL16316797 0.85 L3MBTL1 (0.56) GAAL3MBTL1ALDH1A1PTGDR2TDP1
SCHEMBL2890793 0.80 ESRRA (0.42) GAAL3MBTL1ALDH1A1PTGDR2PNLIP
SCHEMBL2884682 0.80 HTR2A (0.42) GAAL3MBTL1ALDH1A1HPGDPNLIP
SCHEMBL2885405 0.79 L3MBTL1 (0.45) GAAL3MBTL1ALDH1A1PTGDR2PNLIP
SCHEMBL2892435 0.77 L3MBTL1 (0.55) L3MBTL1ALDH1A1HPGDPNLIPTDP1
SCHEMBL13028234 0.76 HTR2A (0.52) L3MBTL1ALDH1A1PTGDR2PNLIPTDP1
SCHEMBL2890300 0.76 HTR2A (0.52) L3MBTL1ALDH1A1PTGDR2PNLIPTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
EP-2220026-A2 INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGENASE Sterix Limited (GB) 2010-08-25 EP disclosed
WO-2009066072-A2 COMPOUND STERIX LIMITED (GB) 2009-05-28 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-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE HSD17B13, HSD17B3, HSD3B2 GAA 3358/4885L3MBTL1 2881/4885ALDH1A1 316/4885

“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.