SCHEMBL10000593

SCHEMBL10000593

Cc1cccc2c1-c1ncc(-c3cccc4ccccc34)cc1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.43
CA9 Q16790 4/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
DHFR P00374 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL10027995 0.84 SMN1; SMN2 (0.41) CA12CA9CCNT1CCNA2CDK2
SCHEMBL10000592 0.76 CA12 (0.49) CA12CA9CA1CA2CCNT1
SCHEMBL10000550 0.76 CYP2A6 (0.40) CA1CA2KDM4EHSD17B10ACHE
SCHEMBL10000588 0.74 CA12 (0.43) CA12CA9CA1CA2CCNT1
SCHEMBL10356425 0.73 CYP1A2 (0.37) CA12CA9CA1CA2HSD17B10
SCHEMBL10000589 0.71 MCL1 (0.48) CA12CA9CA1CA2KDM4E
SCHEMBL10000590 0.70 MCL1 (0.53) CA12CA9CA1CA2GSK3A
SCHEMBL10000577 0.69 PDGFRB (0.39) CDK9GSK3AGSK3BKDM4EMEN1
SCHEMBL12647988 0.69 CA12 (0.41) CA12CA9CA1CA2CCNT1
SCHEMBL16805038 0.68 ENPP3 (0.49) CA12CA9CA1CA2CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2015-11-26 US disclosed
US-9096529-B2 Metal complex compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-04 US disclosed
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-01-19 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-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 CA12 2551/4885CA9 1580/4885CA1 1958/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 CA12 2551/4885CA9 1580/4885CA1 1958/4885

“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.