SCHEMBL2890793

SCHEMBL2890793

CC(=O)Nc1c(Nc2ccccc2Oc2ccc(Cl)cc2)c(C)cc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 2/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
PNLIP P16233 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37
PYGL P06737 1/20 0.37
PYGM P11217 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL2892667 0.80 GAA (0.47) ESRRAL3MBTL1PNLIPTDP1ALDH1A1
SCHEMBL2884687 0.78 L3MBTL1 (0.44) ESRRAL3MBTL1PNLIPTDP1ALDH1A1
SCHEMBL16316797 0.77 L3MBTL1 (0.56) ESRRAL3MBTL1TDP1ALDH1A1MEN1
SCHEMBL2890786 0.76 ESRRA (0.42) ESRRAL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL2888429 0.76 ESRRA (0.46) ESRRAL3MBTL1PNLIPTDP1ALDH1A1
SCHEMBL2893274 0.75 PTGDR2 (0.47) ESRRAL3MBTL1PNLIPTDP1ALDH1A1
SCHEMBL2885405 0.74 L3MBTL1 (0.45) L3MBTL1PNLIPTDP1ALDH1A1KDM4E
SCHEMBL2892583 0.69 PNLIP (0.41) ESRRAL3MBTL1PNLIPTDP1ALDH1A1
SCHEMBL2892435 0.69 L3MBTL1 (0.55) L3MBTL1PNLIPTDP1ALDH1A1KDM4E
SCHEMBL6452004 0.69 L3MBTL1 (0.54) L3MBTL1TDP1ALDH1A1MEN1KMT2A

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 ESRRA 79/4885L3MBTL1 2881/4885PNLIP 2520/4885

“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.