SCHEMBL1107092

SCHEMBL1107092

Cc1ccc(O)c(OCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPK1 P28482 1/20 0.53
MAOB P27338 4/20 0.52
MRGPRX4 Q96LA9 4/20 0.49
PTGER1 P34995 1/20 0.49
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
LIPE Q05469 1/20 0.49
APP P05067 1/20 0.47
MCL1 Q07820 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
STAT3 P40763 1/20 0.46
HTT P42858 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL8150510 0.86 MAPT (0.53) MAPTTDP1L3MBTL1MAPK1MAOB
SCHEMBL686650 0.84 MAPT (0.58) MAPTTDP1L3MBTL1MAPK1MAOB
SCHEMBL6700367 0.84 LMNA (0.55) MAPTTDP1L3MBTL1MAPK1MAOB
SCHEMBL15869752 0.82 MAPT (0.56) MAPTTDP1L3MBTL1MAPK1MAOB
SCHEMBL14228414 0.82 MAPT (0.56) MAPTTDP1L3MBTL1MAPK1MAOB
SCHEMBL3197041 0.81 APP (0.50) MAPTTDP1L3MBTL1MAPK1MAOB
SCHEMBL11163647 0.81 LMNA (0.55) MAPTTDP1L3MBTL1MAPK1MAOB
SCHEMBL11857933 0.81 CYP19A1 (0.57) MAPTTDP1L3MBTL1MAPK1MAOB
SCHEMBL2096058 0.81 LMNA (0.61) MAPTL3MBTL1MAOBMCL1SMN1; SMN2
SCHEMBL9376228 0.80 PTGER1 (0.50) MAPTTDP1L3MBTL1MAPK1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9366906-B2 Photoreactive compounds ROLIC AG (CH) 2016-06-14 US disclosed
US-20140192305-A1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2014-07-10 US disclosed
US-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG 2013-02-21 US disclosed
US-8163901-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-24 US disclosed
US-8153651-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-10 US disclosed
US-20110028465-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2011-02-03 US disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 US disclosed
US-6046183-A SYNERGISTIC MIXTURE OF FINASTERIDE AND DOXAZOSIN MERCK & CO., INC. (US) 2000-04-04 US disclosed
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
EP-0622393-B1 Modified aromatic polycarbonate resin and modified phenol for preparing it TEIJIN CHEMICALS LTD (JP) 1999-07-07 EP disclosed
US-5753641-A SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS MERCK & CO., INC. (US) 1998-05-19 US disclosed
US-5463013-A Transparency, heat resistance, dimensional stability, tracking resistance TEIJIN CHEMICALS, LTD. (JP) 1995-10-31 US disclosed
EP-0622393-A2 Modified aromatic polycarbonate resin and modified phenol for preparing it Teijin Chemicals, Ltd. (JP) 1994-11-02 EP disclosed
EP-0576603-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO. INC. (US) 1994-01-05 EP disclosed
EP-0525888-A1 New catechol type non-steroidal drugs as 5-alpha reductase inhibitors MERCK & CO. INC. (US) 1993-02-03 EP disclosed
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 WO disclosed
WO-1992016213-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 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-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 MAPT 3268/4885TDP1 4280/4885L3MBTL1 3894/4885
US-20110028465-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 MAPT 3268/4885TDP1 4280/4885L3MBTL1 3894/4885
US-20140192305-A1 PHOTOREACTIVE COMPOUNDS PCNA, CRY1, CRY2 MAPT 124/4885TDP1 1806/4885L3MBTL1 1772/4885
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 MAPT 3268/4885TDP1 4280/4885L3MBTL1 3894/4885

“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.