SCHEMBL3978633

SCHEMBL3978633

C1=CCC2=C(C1)Cc1ccccc1C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2A6 P11509 1/20 0.39
HTR2C P28335 1/20 0.38
DRD2 P14416 2/20 0.37
DRD1 P21728 2/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
TSHR P16473 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
AHR P35869 1/20 0.36
PDK2 Q15119 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL28358022 0.97 CYP1A2 (0.43) CYP1A2ALOX15HSD17B10CYP2A6HTR2C
SCHEMBL10740554 0.90 CYP2A6 (0.48) CYP1A2ALOX15HSD17B10CYP2A6HTR2C
SCHEMBL8666004 0.81 CYP1A2 (0.56) CYP1A2ALOX15HSD17B10CYP2A6HTR2C
SCHEMBL29507678 0.74 TSHR (0.44) CYP1A2CYP2A6HTR2CTSHRMAOA
SCHEMBL44447 0.74 TSHR (0.44) CYP1A2CYP2A6HTR2CTSHRMAOA
SCHEMBL29881712 0.73
SCHEMBL109650 0.73 CYP1A2 (0.62) CYP1A2ALOX15HSD17B10CYP2A6HTR2C
SCHEMBL22081972 0.73 CYP1A2 (0.62) CYP1A2ALOX15HSD17B10CYP2A6HTR2C
SCHEMBL1525601 0.73
SCHEMBL8664022 0.71 TSHR (0.58) CYP1A2ALOX15HSD17B10CYP2A6HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936634-B2 Ruthenium (II) compounds for use in the therapy of cancer THE UNIVERSITY COURT, THE UNIVERSITY OF EDINBURGH (UK) (GB) 2005-08-30 US claimed
EP-1294732-B1 RUTHENIUM (II) COMPOUNDS FOR USE IN THE THERAPY OF CANCER UNIV EDINBURGH (GB) 2004-08-18 EP claimed
US-20040029852-A1 Ruthenium (ii) compounds for use in the therepy of cancer UNIVERSITY COURT, THE UNIVERSITY OF EDINBURGH, THE (GB) 2004-02-12 US claimed
EP-1294732-A1 RUTHENIUM (II) COMPOUNDS FOR USE IN THE THERAPY OF CANCER THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2003-03-26 EP claimed
WO-2002002572-A1 RUTHENIUM (II) COMPOUNDS FOR USE IN THE THERAPY OF CANCER THE UNIVERSITY COURT, THE UNIVERSITY OF EDINBURGH (GB) 2002-01-10 WO claimed
JP-8059540-A None JP disclosed
CN-107207628-B Method for producing xylan-containing material 日本制纸株式会社 2020-02-21 CN disclosed
CN-107207628-A Method for producing xylan-containing material 日本制纸株式会社 2017-09-26 CN disclosed
US-20090318402-A1 RUTHENIUM (II) COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURG (GB) 2009-12-24 US disclosed
US-20090186864-A1 RUTHENIUM (II) COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2009-07-23 US disclosed
EP-2056801-A1 RUTHENIUM II COMPOUNDS The University Court of the University of Edinburgh (GB) 2009-05-13 EP disclosed
EP-1558620-B1 RUTHENIUM ANTICANCER COMPLEXES UNIV EDINBURGH (GB) 2008-09-10 EP disclosed
US-6936634-B2 Ruthenium (II) compounds for use in the therapy of cancer THE UNIVERSITY COURT, THE UNIVERSITY OF EDINBURGH (UK) (GB) 2005-08-30 US disclosed
EP-1558620-A1 RUTHENIUM ANTICANCER COMPLEXES THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2005-08-03 EP disclosed
EP-1294732-B1 RUTHENIUM (II) COMPOUNDS FOR USE IN THE THERAPY OF CANCER UNIV EDINBURGH (GB) 2004-08-18 EP disclosed
US-20040029852-A1 Ruthenium (ii) compounds for use in the therepy of cancer UNIVERSITY COURT, THE UNIVERSITY OF EDINBURGH, THE (GB) 2004-02-12 US disclosed
WO-2004005304-A1 RUTHENIUM ANTICANCER COMPLEXES THE UNIVERSITY COURT, THE UNIVERSITY OF EDINBURGH (GB) 2004-01-15 WO disclosed
EP-1294732-A1 RUTHENIUM (II) COMPOUNDS FOR USE IN THE THERAPY OF CANCER THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2003-03-26 EP disclosed
WO-2002002572-A1 RUTHENIUM (II) COMPOUNDS FOR USE IN THE THERAPY OF CANCER THE UNIVERSITY COURT, THE UNIVERSITY OF EDINBURGH (GB) 2002-01-10 WO disclosed
JP-H0859540-A PRODUCTION OF FINE PARTICULATE ANTHRAQUINONE AND METHOD FOR FEEDING KAWASAKI KASEI CHEM LTD 1996-03-05 JP 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-20090186864-A1 RUTHENIUM (II) COMPOUNDS CBR3, RRS1, CBR1 CYP1A2 368/4885ALOX15 846/4885HSD17B10 522/4885
US-20090318402-A1 RUTHENIUM (II) COMPOUNDS NR0B1, NR0B2, NR2E1 CYP1A2 918/4885ALOX15 4466/4885HSD17B10 2149/4885
US-20040029852-A1 Ruthenium (ii) compounds for use in the therepy of cancer BRCA1, NFE2L2, RBBP7 CYP1A2 302/4885ALOX15 704/4885HSD17B10 1020/4885

“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.