SCHEMBL47045

SCHEMBL47045

O=C(O)c1ccc(Br)cc1Oc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 1/20 0.47
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.46
POLB P06746 2/20 0.44
MCL1 Q07820 2/20 0.43
ICAM1 P05362 2/20 0.42
SELE P16581 2/20 0.42
CDC7 O00311 1/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
FYN P06241 1/20 0.42
CDK1 P06493 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
VCAM1 P19320 1/20 0.42
CDK2 P24941 1/20 0.42
FLT4 P35916 1/20 0.42
MAPK9 P45984 1/20 0.42

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
SCHEMBL489914 0.91 SLC6A4 (0.47) AKR1C3KDM4EGLAPOLBMCL1
SCHEMBL490103 0.90 MAPT (0.50) AKR1C3AKR1C2KDM4EGLAPOLB
SCHEMBL12726139 0.90 SORT1 (0.46) AKR1C3AKR1C2KDM4EGLAPOLB
SCHEMBL10170971 0.90 MAP3K8 (0.45) AKR1C3AKR1C2KDM4EGLAPOLB
SCHEMBL21327649 0.90 KDM4E (0.54) AKR1C3AKR1C2KDM4EPOLBMCL1
SCHEMBL19474926 0.88 NCEH1 (0.46) AKR1C3AKR1C2KDM4EGLAPOLB
SCHEMBL1999191 0.87 AKR1C3 (0.46) AKR1C3AKR1C2KDM4EPOLBMCL1
Hydrochloric Acid SCHEMBL9672210 0.87 TTR (0.48) AKR1C3AKR1C2KDM4EPOLBMCL1
SCHEMBL15897450 0.87 AKR1C3 (0.43) AKR1C3AKR1C2KDM4EPOLBMCL1
SCHEMBL26936314 0.86 KDM4E (0.56) AKR1C3AKR1C2KDM4EGLAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180170894-A1 LIGHT EMITTING MATERIAL, MANUFACTURE METHOD THEREOF AND ORGANIC LIGHT EMITTING DIODE USING THE LIGHT EMITTING MATERIAL SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2018-06-21 US disclosed
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-20130310427-A1 INHIBITORS OF HCV NS5A PROTEIN PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
WO-2012050918-A2 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICAL, INC. (US) 2012-04-19 WO disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
WO-2012003642-A1 FUSED TRICYCLIC COMPOUNDS AND USE THEREOF FOR TREATING VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-01-12 WO disclosed
WO-2010111534-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2010-09-30 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 (4 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-20130310427-A1 INHIBITORS OF HCV NS5A PROTEIN HAVCR2, EIF2AK2, PPP2CA AKR1C3 3986/4885AKR1C2 3984/4885KDM4E 4223/4885
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, LIPC AKR1C3 532/4885AKR1C2 1038/4885KDM4E 4230/4885
US-20180170894-A1 LIGHT EMITTING MATERIAL, MANUFACTURE METHOD THEREOF AND ORGANIC LIGHT EMITTING DIODE USING THE LIGHT EMITTING MATERIAL UBE2M, UFM1, UFL1 AKR1C3 3993/4885AKR1C2 4235/4885KDM4E 1215/4885
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 AKR1C3 968/4885AKR1C2 1452/4885KDM4E 3819/4885

“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.