SCHEMBL772663

SCHEMBL772663

OCCOc1ccccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.57
ADRA1D P25100 7/20 0.57
ADRA1A P35348 7/20 0.57
ADRA1B P35368 7/20 0.57
TDP1 Q9NUW8 2/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LIPE Q05469 1/20 0.55
ALDH1A1 P00352 1/20 0.52
RECQL P46063 1/20 0.52
DRD2 P14416 1/20 0.52
ALPG P10696 1/20 0.51
PTK2B Q14289 1/20 0.51
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CDK4 P11802 1/20 0.50
CCNB1 P14635 1/20 0.50
CCND1 P24385 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50

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
SCHEMBL5630778 0.90 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BTDP1
SCHEMBL9043854 0.85 ALOX5 (0.51) HTR1AADRA1DADRA1AADRA1BTDP1
SCHEMBL339812 0.85 MAPT (0.71) HTR1AADRA1DADRA1AADRA1BTDP1
SCHEMBL29510942 0.85 ALDH1A1 (0.61) MAPTMAPK1L3MBTL1ALDH1A1RECQL
SCHEMBL238824 0.85 ALDH1A1 (0.61) MAPTMAPK1L3MBTL1ALDH1A1RECQL
SCHEMBL8545383 0.85 CYP4F2 (0.54) HTR1AADRA1DADRA1AADRA1BTDP1
SCHEMBL23582876 0.84 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BTDP1
SCHEMBL29847096 0.84 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BTDP1
Water SCHEMBL7910704 0.84 CYP4F2 (0.53) HTR1AADRA1DADRA1AADRA1BTDP1
Water SCHEMBL7910705 0.84 CYP4F2 (0.53) HTR1AADRA1DADRA1AADRA1BTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-5273993-A Antiarthritic agents; osteoporosis A. H. ROBINS COMPANY, INCORPORATED (US) 1993-12-28 US disclosed
US-5194446-A Antiarthritic agents A. H. ROBINS COMPANY, INCORPORATED (US) 1993-03-16 US disclosed
US-5025031-A Aryl and aryloxyalkyl sulfamate esters useful as anticonvulsants A. H. ROBINS CO., INC. (US) 1991-06-18 US 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 (2 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 HTR1A 4866/4885ADRA1D 4779/4885ADRA1A 4721/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HTR1A 4866/4885ADRA1D 4779/4885ADRA1A 4721/4885

“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.