SCHEMBL647952

SCHEMBL647952

O=Cc1c(Br)cccc1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
CA12 O43570 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA1 P00915 2/20 0.38
KMO O15229 1/20 0.38
APAF1 O14727 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
XBP1 P17861 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
SCHEMBL1984909 0.89 ALDH1A1 (0.56) ALDH1A1MAPK1MEN1RAB9AKMT2A
SCHEMBL978595 0.81 PTGER1 (0.41) ALDH1A1PTGER1PTGER4PTGER3PTGER2
SCHEMBL16617019 0.79 MAPK1 (0.70) ALDH1A1MAPK1PTGER1PTGER4PTGER3
SCHEMBL30046055 0.79 MAPK1 (0.70) ALDH1A1MAPK1PTGER1PTGER4PTGER3
SCHEMBL29934895 0.79 MAPK1 (0.70) ALDH1A1MAPK1PTGER1PTGER4PTGER3
SCHEMBL19107130 0.79 MAPK1 (0.70) ALDH1A1MAPK1PTGER1PTGER4PTGER3
SCHEMBL16050181 0.77 ALDH1A1 (0.43) ALDH1A1MAPK1MEN1KMT2ACA2
SCHEMBL30292627 0.76 ALDH1A1 (0.52) ALDH1A1MAPK1PTGER1PTGER4PTGER3
SCHEMBL954787 0.75 MEN1 (0.53) ALDH1A1MAPK1MEN1RAB9AKMT2A
SCHEMBL19154057 0.74 MEN1 (0.46) ALDH1A1PTGER1PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9065062-B2 Cross-linkable iridium complexes and organic light-emitting devices using the same UNIVERSAL DISPLAY CORPORATION (US) 2015-06-23 US disclosed
US-20120107989-A1 CROSS-LINKABLE IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DEVICES USING THE SAME UNIVERSAL DISPLAY CORPORATION 2012-05-03 US disclosed
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
WO-2008073440-A2 CROSS-LINKABLE IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DEVICES USING THE SAME UNIVERSAL DISPLAY CORPORATION (US) 2008-06-19 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 (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-20080220265-A1 Cross-linkable Iridium Complexes and Organic Light-Emitting Devices Using the Same MTCL3, LIG4, L1CAM ALDH1A1 681/4885MAPK1 3499/4885PTGER1 3714/4885
US-20120107989-A1 CROSS-LINKABLE IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DEVICES USING THE SAME MTCL3, LIG4, L1CAM ALDH1A1 681/4885MAPK1 3499/4885PTGER1 3714/4885

“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.