SCHEMBL17867601

SCHEMBL17867601

CC(C)Cc1cc(Br)ncc1Br

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32

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
SCHEMBL17051312 0.82 P2RX3 (0.38) ALOX15ALOX12P2RX3P2RX2
SCHEMBL17051311 0.81 ALOX15 (0.35) ALOX15ALOX12GABRA1GABRB2P2RX3
SCHEMBL20692253 0.81 ALOX15 (0.35) ALOX15ALOX12GABRA1GABRB2P2RX3
SCHEMBL31252857 0.81 ALOX15 (0.35) ALOX15ALOX12GABRA1GABRB2P2RX3
SCHEMBL18540398 0.79 GABRA1 (0.30) GABRA1GABRB2P2RX3P2RX2
SCHEMBL28767058 0.79 GABRA1 (0.30) GABRA1GABRB2P2RX3P2RX2
SCHEMBL29492596 0.79 GABRA1 (0.30) GABRA1GABRB2P2RX3P2RX2
SCHEMBL19794768 0.79
SCHEMBL29411237 0.79
SCHEMBL21358386 0.77 NOS3 (0.36) GABRA1GABRB2

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
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices MERCK PATENT GMBH 2021-01-12 US disclosed
US-10370588-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-08-06 US disclosed
US-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-07-04 US disclosed
US-20160190484-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-06-30 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 (4 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-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES PARN, PUF60, PARG ALOX15 4256/4885ALOX12 3951/4885GABRA1 1329/4885
US-10370588-B2 Organometallic compound and organic light-emitting device including the same L1CAM, AP1M1, L3MBTL1 ALOX15 1456/4885ALOX12 700/4885GABRA1 3834/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG ALOX15 4256/4885ALOX12 3951/4885GABRA1 1329/4885
US-20160190484-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME L1CAM, AP1M1, L3MBTL1 ALOX15 1456/4885ALOX12 700/4885GABRA1 3834/4885

“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.