SCHEMBL2997152

SCHEMBL2997152

COc1ccc(OC)c(C=Cc2ccnc(-c3ccccc3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 9/20 0.57
CYP1B1 Q16678 9/20 0.57
NFE2L2 Q16236 3/20 0.51
CYP19A1 P11511 2/20 0.51
CYP1A2 P05177 7/20 0.50
KDM1A O60341 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
JUN P05412 1/20 0.47
NFKB1 P19838 1/20 0.47
TLR9 Q9NR96 1/20 0.46
TNNI3 P19429 1/20 0.45
CRHBP P24387 1/20 0.45
TNNT2 P45379 1/20 0.45

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
SCHEMBL2997151 1.00 CYP1A1 (0.57) CYP1A1CYP1B1NFE2L2CYP19A1CYP1A2
SCHEMBL7604736 0.90 CYP1A1 (0.66) CYP1A1CYP1B1NFE2L2CYP19A1CYP1A2
SCHEMBL1067295 0.79 CYP1A1 (0.76) CYP1A1CYP1B1NFE2L2CYP19A1CYP1A2
SCHEMBL30444716 0.79 CYP1A1 (0.76) CYP1A1CYP1B1NFE2L2CYP19A1CYP1A2
SCHEMBL1067296 0.79 CYP1A1 (0.76) CYP1A1CYP1B1NFE2L2CYP19A1CYP1A2
SCHEMBL29905754 0.78 CYP1A1 (0.62) CYP1A1CYP1B1NFE2L2CYP19A1CYP1A2
SCHEMBL22009552 0.77 CYP1A1 (0.77) CYP1A1CYP1B1NFE2L2CYP19A1CYP1A2
SCHEMBL20995859 0.75 CYP1A1 (0.77) CYP1A1CYP1B1NFE2L2CYP19A1CYP1A2
SCHEMBL20995855 0.75 CYP1A1 (0.77) CYP1A1CYP1B1NFE2L2CYP19A1CYP1A2
SCHEMBL29386644 0.74 CCR1 (0.70) NPC1RAB9AMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357800-B2 Bipyridine metal complexes for use as light-emitting material SOLVAY (SOCIETE ANONYME) (BE) 2013-01-22 US disclosed
US-20100174078-A1 Bipyridine metal complexes for use as light-emitting material SOLVAY (SOCIETE ANONYME) (BE) 2010-07-08 US disclosed
EP-2155765-A1 BIPYRIDINE METAL COMPLEXES FOR USE AS LIGHT-EMITTING MATERIAL SOLVAY (BE) 2010-02-24 EP disclosed
WO-2008148830-A1 BIPYRIDINE METAL COMPLEXES FOR USE AS LIGHT-EMITTING MATERIAL SOLVAY (BE) 2008-12-11 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 (1 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-20100174078-A1 Bipyridine metal complexes for use as light-emitting material OCIAD2, AP2M1, OCIAD1 CYP1A1 2157/4885CYP1B1 1862/4885NFE2L2 55/4885

“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.