SCHEMBL10078136

SCHEMBL10078136

CCCc1cccc(-c2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.50
GGPS1 O95749 2/20 0.49
BCL2 P10415 1/20 0.47
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
KIF11 P52732 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
HTR7 P34969 1/20 0.43
BACE1 P56817 1/20 0.43
PTGS2 P35354 1/20 0.42
AOC3 Q16853 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4533749 0.98 AGXT (0.52) AGXTGGPS1BCL2CTSSCTSK
SCHEMBL3836772 0.94 AGXT (0.48) AGXTGGPS1BCL2CTSSCTSK
SCHEMBL24005570 0.94 CTSS (0.50) AGXTGGPS1BCL2CTSSCTSK
SCHEMBL196298 0.91 CTSS (0.51) AGXTBCL2CTSSCTSKKIF11
SCHEMBL30777855 0.91 CTSS (0.51) AGXTBCL2CTSSCTSKKIF11
SCHEMBL10599359 0.88 PSMB5 (0.48) AGXTGGPS1BCL2
SCHEMBL5595170 0.88 MCL1 (0.53) BCL2KDM4ENPC1ALDH1A1MAPT
SCHEMBL15238584 0.88 MCL1 (0.49) BCL2CTSSCTSKBACE1PTGS2
Formic Acid SCHEMBL27427404 0.87 GPR84 (0.49) AGXTGGPS1BCL2GPR84BACE1
SCHEMBL5551488 0.86 LPL (0.53) AGXTGGPS1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119255-B2 First and second electrode; a first organic layer between the electrodes; the first organic layer is a non-electroluminescent, cross-linked metal complex; and a second organic layer is an emissive electroluminescent organic material UNIVERSAL DISPLAY CORPORATION (US) 2012-02-21 US disclosed
US-20080220265-A1 Cross-linkable Iridium Complexes and Organic Light-Emitting Devices Using the Same UNIVERSAL DISPLAY CORPORATION (US) 2008-09-11 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 (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-20080220265-A1 Cross-linkable Iridium Complexes and Organic Light-Emitting Devices Using the Same MTCL3, LIG4, L1CAM AGXT 4550/4885GGPS1 2331/4885BCL2 4707/4885

“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.