SCHEMBL4659871

SCHEMBL4659871

c1ccc(-c2ccc(-c3cc4ccccc4s3)nc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.56
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
APP P05067 2/20 0.49
CYP19A1 P11511 1/20 0.47
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
IKBKB O14920 2/20 0.41
FYN P06241 1/20 0.41
CHUK O15111 1/20 0.41
IKBKG Q9Y6K9 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
ERN1 O75460 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL22508438 0.89 KDM1A (0.49) KDM1ACYP11B1CYP11B2APPCYP19A1
SCHEMBL19794423 0.85 KDM1A (0.53) KDM1ACYP11B1CYP11B2APPCYP19A1
SCHEMBL18490715 0.81 CYP19A1 (0.51) KDM1ACYP11B1CYP11B2APPCYP19A1
SCHEMBL25061124 0.81 KDM1A (0.45) KDM1ACYP11B1CYP11B2APPCYP19A1
SCHEMBL5768436 0.79 APP (0.72) APPHSD17B1HSD17B2CA1CA2
SCHEMBL13201335 0.79 KDM1A (0.64) KDM1ACYP11B1CYP11B2APPCYP19A1
SCHEMBL4821816 0.79 KDM1A (0.57) KDM1ACYP11B1CYP11B2APPCYP19A1
SCHEMBL4014804 0.79 KDM1A (0.57) KDM1ACYP11B1CYP11B2APPCYP19A1
SCHEMBL28911362 0.79 KDM1A (0.57) KDM1ACYP11B1CYP11B2APPCYP19A1
SCHEMBL13017787 0.79 KDM1A (0.57) KDM1ACYP11B1CYP11B2APPCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1239526-B1 Metal coordination compound, luminescence device and display apparatus CANON KK (JP) 2008-12-17 EP disclosed
US-7354662-B2 Metal coordination compound, luminescence device and display apparatus CANON KABUSHIKI KAISHA (JP) 2008-04-08 US disclosed
US-7354662-B2 Metal coordination compound, luminescence device and display apparatus CANON KABUSHIKI KAISHA (JP) 2008-04-08 US disclosed
US-7354662-B2 Metal coordination compound, luminescence device and display apparatus CANON KABUSHIKI KAISHA (JP) 2008-04-08 US disclosed
US-20060022588-A1 Metal coordination compound, luminescence device and display apparatus CANON KABUSHIKI KAISHA (JP) 2006-02-02 US disclosed
US-6974639-B2 Metal coordination compound, luminescence device and display apparatus CANON KABUSHIKI KAISHA (JP) 2005-12-13 US disclosed
US-20030068536-A1 Such as bis(4-biphenyl-4-yl)pyridine-C3-N3)(acetylacetonato-) iridium (III); brightness; phosphorescence; graphic arts CANON KABUSHIKI KAISHA (JP) 2003-04-10 US disclosed
EP-1239526-A2 Metal coordination compound, luminescene device and display apparatus CANON KABUSHIKI KAISHA (JP) 2002-09-11 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 (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-20060022588-A1 Metal coordination compound, luminescence device and display apparatus MCOLN2, MCOLN1, CYC1 KDM1A 2599/4885CYP11B1 1404/4885CYP11B2 1284/4885
US-20030068536-A1 Such as bis(4-biphenyl-4-yl)pyridine-C3-N3)(acetylacetonato-) iridium (III); brightness; phosphorescence; graphic arts CYC1, CYCS, CCNA1 KDM1A 2665/4885CYP11B1 1273/4885CYP11B2 1530/4885

“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.