SCHEMBL13028232

SCHEMBL13028232

C=CC[C@H](Nc1ccccc1Oc1ccc(Cl)cc1)c1ccccc1NC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 4/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.37
ESRRA P11474 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.36
PPARA Q07869 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL13028228 1.00 L3MBTL1 (0.41) L3MBTL1TDP1PTGDR2HTR2ASLC6A4
SCHEMBL13028229 1.00 L3MBTL1 (0.41) L3MBTL1TDP1PTGDR2HTR2ASLC6A4
SCHEMBL2892742 0.85 L3MBTL1 (0.43) L3MBTL1TDP1PTGDR2HTR2ASLC6A4
SCHEMBL13028233 0.85 L3MBTL1 (0.43) L3MBTL1TDP1PTGDR2HTR2ASLC6A4
SCHEMBL2892470 0.84 L3MBTL1 (0.44) L3MBTL1TDP1PTGDR2HTR2ASLC6A4
SCHEMBL13028231 0.84 L3MBTL1 (0.44) L3MBTL1TDP1PTGDR2HTR2ASLC6A4
SCHEMBL13028234 0.82 HTR2A (0.52) L3MBTL1TDP1PTGDR2HTR2ASLC6A4
SCHEMBL2890300 0.82 HTR2A (0.52) L3MBTL1TDP1PTGDR2HTR2ASLC6A4
SCHEMBL2885198 0.80 HTR2A (0.43) L3MBTL1TDP1PTGDR2HTR2ASLC6A4
SCHEMBL2885200 0.80 HTR2A (0.43) L3MBTL1TDP1PTGDR2HTR2ASLC6A4

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 5 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-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
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US 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 L3MBTL1 2881/4885TDP1 3964/4885PTGDR2 1043/4885

“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.