SCHEMBL2195152

SCHEMBL2195152

Cc1cc(C)c(-c2cnc3ccccc3c2)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
PDGFRB P09619 3/20 0.54
PDGFRA P16234 3/20 0.54
CYP2A6 P11509 1/20 0.51
BIRC5 O15392 1/20 0.50
PSMB5 P28074 1/20 0.50
NPC1 O15118 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.49
PIK3CA P42336 2/20 0.49
PIK3CD O00329 1/20 0.49
MAP4K4 O95819 1/20 0.48
CSNK1G2 P78368 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
MAP4K5 Q9Y4K4 1/20 0.48
NISCH Q9Y2I1 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 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
SCHEMBL27430960 0.81 PDGFRB (0.62) CYP1A2PDGFRBPDGFRACYP2A6BIRC5
SCHEMBL32667946 0.80 PDGFRB (0.77) CYP1A2PDGFRBPDGFRACYP2A6BIRC5
SCHEMBL2772360 0.80 PDGFRB (0.77) CYP1A2PDGFRBPDGFRACYP2A6BIRC5
SCHEMBL23555381 0.80 PDGFRB (0.66) CYP1A2PDGFRBPDGFRACYP2A6BIRC5
SCHEMBL8370258 0.80 PDGFRB (0.66) CYP1A2PDGFRBPDGFRACYP2A6BIRC5
SCHEMBL29375329 0.79 CYP1A2 (0.56) CYP1A2PDGFRBPDGFRACYP2A6BIRC5
SCHEMBL28286294 0.79 PDGFRB (0.54) CYP1A2PDGFRBPDGFRACYP2A6BIRC5
SCHEMBL15968103 0.79 CYP1A2 (0.56) CYP1A2PDGFRBPDGFRACYP2A6BIRC5
SCHEMBL29377935 0.77 NPC1 (0.61) CYP1A2PDGFRBPDGFRACYP2A6BIRC5
SCHEMBL15344108 0.77 BIRC5 (0.66) CYP1A2PDGFRBPDGFRACYP2A6BIRC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479160-B1 PROCESS FOR PRODUCTION OF OXIDATION REACTION PRODUCT OF AROMATIC COMPOUND UNIV OSAKA (JP) 2015-09-09 EP disclosed
EP-2479160-B1 PROCESS FOR PRODUCTION OF OXIDATION REACTION PRODUCT OF AROMATIC COMPOUND UNIV OSAKA (JP) 2015-09-09 EP disclosed
EP-2479160-A1 PROCESS FOR PRODUCTION OF OXIDATION REACTION PRODUCT OF AROMATIC COMPOUND Osaka University (JP) 2012-07-25 EP disclosed
EP-2479160-A1 PROCESS FOR PRODUCTION OF OXIDATION REACTION PRODUCT OF AROMATIC COMPOUND Osaka University (JP) 2012-07-25 EP disclosed
US-20120171111-A1 PROCESS FOR PRODUCTION OF OXIDATION REACTION PRODUCT OF AROMATIC COMPOUND OSAKA UNIVERSITY (JP) 2012-07-05 US disclosed
US-20120171111-A1 PROCESS FOR PRODUCTION OF OXIDATION REACTION PRODUCT OF AROMATIC COMPOUND OSAKA UNIVERSITY (JP) 2012-07-05 US disclosed
US-20120171111-A1 PROCESS FOR PRODUCTION OF OXIDATION REACTION PRODUCT OF AROMATIC COMPOUND OSAKA UNIVERSITY (JP) 2012-07-05 US disclosed
US-7977486-B2 Quinolinium ion derivatives, process for the production of the derivatives, products made by using the same, and reduction and oxidation methods with the derivatives OSAKA UNIVERSITY (JP) 2011-07-12 US disclosed
WO-2011034071-A1 PROCESS FOR PRODUCTION OF OXIDATION REACTION PRODUCT OF AROMATIC COMPOUND 国立大学法人大阪大学 (JP) 2011-03-24 WO disclosed
US-20100004454-A1 QUINOLINIUM ION DERIVATIVES, PROCESS FOR THE PRODUCTION OF THE DERIVATIVES, PRODUCTS MADE BY USING THE SAME, AND REDUCTION AND OXIDATION METHODS WITH THE DERIVATIVES OSAKA UNIVERSITY (JP) 2010-01-07 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-20120171111-A1 PROCESS FOR PRODUCTION OF OXIDATION REACTION PRODUCT OF AROMATIC COMPOUND TYR, AOX1, POR CYP1A2 90/4885PDGFRB 2549/4885PDGFRA 2168/4885
US-20100004454-A1 QUINOLINIUM ION DERIVATIVES, PROCESS FOR THE PRODUCTION OF THE DERIVATIVES, PRODUCTS MADE BY USING THE SAME, AND REDUCTION AND OXIDATION METHODS WITH THE DERIVATIVES APEX1, NQO1, POT1 CYP1A2 2589/4885PDGFRB 4869/4885PDGFRA 4845/4885

“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.