SCHEMBL2446705

SCHEMBL2446705

COC(=O)CCOc1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LTA4H P09960 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
RECQL P46063 1/20 0.42
TSHR P16473 1/20 0.41
DYRK1A Q13627 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL3170416 0.91 MAPT (0.48) MAPTHTTALDH1A1KMT2ALMNA
SCHEMBL5542764 0.90 TSHR (0.45) MAPTHTTALDH1A1KMT2ALMNA
SCHEMBL5544236 0.88 HDAC1 (0.47) MAPTHTTALDH1A1KMT2ALMNA
SCHEMBL4457893 0.83 LTA4H (0.48) MAPTALDH1A1LTA4HL3MBTL1TSHR
SCHEMBL23295 0.81 PTGS2 (0.53) MAPTALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL11233455 0.81 MAPT (0.66) MAPTHTTALDH1A1KMT2ALMNA
SCHEMBL1811389 0.81 RAB9A (0.59) MAPTALDH1A1KMT2ALMNALTA4H
SCHEMBL10738896 0.80 L3MBTL1 (0.68) MAPTHTTALDH1A1KMT2ALMNA
SCHEMBL7697086 0.80 MAPT (0.53) MAPTHTTALDH1A1KMT2ALMNA
SCHEMBL1932026 0.80 MAPT (0.53) MAPTHTTALDH1A1KMT2ALMNA

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 US claimed
EP-1467998-B1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO MCNEIL PHARM INC (US) 2006-03-29 EP claimed
EP-1467998-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-10-20 EP claimed
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-20 US claimed
WO-2003053977-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-07-03 WO claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 US disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US disclosed
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 US disclosed
US-5731321-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 US disclosed
US-5700807-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-23 US disclosed
EP-0796250-A1 PYRIDAZINONES AS ENDOTHELIN-RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 1997-09-24 EP disclosed
WO-1997013758-A1 PYRIDAZINONES AS ENDOTHELIN-RECEPTOR ANTAGONISTS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-04-17 WO disclosed
EP-0758650-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-02-19 EP disclosed
EP-0757039-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-02-05 EP disclosed
EP-0755934-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-01-29 EP disclosed
EP-0075117-A2 2H-1,2,4,6-thiatriazine-1,1-dioxides, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1983-03-30 EP 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 (3 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP MAPT 4262/4885HTT 4418/4885ALDH1A1 96/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H MAPT 3695/4885HTT 3451/4885ALDH1A1 557/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR MAPT 1656/4885HTT 1811/4885ALDH1A1 2801/4885

“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.