SCHEMBL17868540

SCHEMBL17868540

BrCc1ccc(Br)cc1-c1cc(Br)ccc1CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.42
PTPRC P08575 1/20 0.37
BCL2 P10415 2/20 0.35
MCL1 Q07820 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CYP2A6 P11509 2/20 0.35
TGM2 P21980 1/20 0.34
CES1 P23141 1/20 0.34
ALOX15 P16050 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
AHR P35869 1/20 0.33
PYCR1 P32322 1/20 0.32
HSP90AA1 P07900 1/20 0.32
TLR9 Q9NR96 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
SCHEMBL260670 0.81 CYP2A6 (0.37) S100A4CYP2A6ALOX15GPR84AHR
SCHEMBL1823000 0.81 BIRC5 (0.40) CA1CA2PYCR1
SCHEMBL30900304 0.80 BACE1 (0.41) S100A4CYP2A6ALOX15GPR84AHR
SCHEMBL28419 0.80 BACE1 (0.41) S100A4CYP2A6ALOX15GPR84AHR
SCHEMBL3287674 0.79 S100A4 (0.42) S100A4PTPRCBCL2MCL1CA1
SCHEMBL2789656 0.79 PYCR1 (0.44) S100A4CYP2A6ALOX15GPR84AHR
SCHEMBL17868453 0.77 PTGDR2 (0.43) S100A4PTPRCBCL2MCL1CA1
SCHEMBL12797363 0.76 SNCA (0.41) S100A4PTPRCMCL1CA1CA2
SCHEMBL307129 0.75 PYCR1 (0.49) CA1CA2PYCR1
SCHEMBL308050 0.75 PYCR1 (0.47) PYCR1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10581000-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-03-03 US disclosed
US-20160190482-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-06-30 US disclosed
US-20160190482-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-06-30 US disclosed
US-20160190482-A1 CONDENSED CYCLIC 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 (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-10581000-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CRY2, CCNE2 S100A4 3112/4885PTPRC 4371/4885BCL2 3423/4885
US-20160190482-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 S100A4 3112/4885PTPRC 4371/4885BCL2 3423/4885

“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.