SCHEMBL2885398

SCHEMBL2885398

COc1cc(CNc2ccccc2Oc2ccc(Cl)cc2)c(NC(C)=O)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
PNLIP P16233 2/20 0.45
LMNA P02545 4/20 0.43
GAA P10253 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
TP53 P04637 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 2/20 0.41
APAF1 O14727 2/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 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
SCHEMBL2888424 0.88 HTR2A (0.45) L3MBTL1HTTMEN1KMT2ALMNA
SCHEMBL2890509 0.88 SLC6A2 (0.46) L3MBTL1HTTMEN1KMT2APNLIP
SCHEMBL13862590 0.87 SLC6A2 (0.44) L3MBTL1HTTMEN1KMT2ALMNA
SCHEMBL2888605 0.87 HTR2A (0.51) L3MBTL1HTTMEN1KMT2ALMNA
SCHEMBL2884685 0.85 L3MBTL1 (0.43) L3MBTL1HTTMEN1KMT2APNLIP
SCHEMBL2892580 0.85 RAB9A (0.47) L3MBTL1HTTMEN1KMT2ALMNA
SCHEMBL13067958 0.84 L3MBTL1 (0.42) L3MBTL1HTTMEN1KMT2APNLIP
SCHEMBL2890483 0.80 HTR2A (0.49) L3MBTL1HTTMEN1KMT2APNLIP
SCHEMBL16316797 0.80 L3MBTL1 (0.56) L3MBTL1MEN1KMT2ALMNAGAA
SCHEMBL2890797 0.80 PNLIP (0.45) L3MBTL1HTTMEN1KMT2APNLIP

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 9 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-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
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
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 2881/4885HTT 3172/4885MEN1 4084/4885

“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.