SCHEMBL22010220

SCHEMBL22010220

CC(C)(c1cc(-c2ccccc2)cc(Br)n1)c1cc(-c2ccccc2)cc(Br)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ADORA1 P30542 3/20 0.38
ADORA2A P29274 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MCL1 Q07820 1/20 0.34
SYK P43405 1/20 0.34
LMNA P02545 1/20 0.33
CYP19A1 P11511 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
PTGS2 P35354 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
SCHEMBL25928572 0.89 SYK (0.40) CRHBPCRHR2ADORA1ADORA2AMEN1
SCHEMBL901737 0.80 CRHBP (0.50) CRHBPCRHR2ADORA1ADORA2AMEN1
SCHEMBL14975399 0.75 ADORA2A (0.59) CRHBPCRHR2ADORA1ADORA2AMEN1
SCHEMBL17878908 0.74 SYK (0.45) ADORA1ADORA2AMEN1KMT2AALDH1A1
SCHEMBL29435146 0.72 MCL1 (0.53) CRHBPCRHR2ADORA1ADORA2AMEN1
SCHEMBL11921491 0.72 MCL1 (0.53) CRHBPCRHR2ADORA1ADORA2AMEN1
SCHEMBL18192034 0.71 MCL1 (0.56) ADORA1ADORA2AMEN1KMT2AALDH1A1
SCHEMBL18192018 0.71 MCL1 (0.56) ADORA1ADORA2AMEN1KMT2AALDH1A1
SCHEMBL24156080 0.70 CRHBP (0.38) CRHBPCRHR2ADORA1ADORA2AMEN1
SCHEMBL9007691 0.68

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-20220006018-A1 COMPOUNDS THAT CAN BE USED FOR PRODUCING AN ORGANIC ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2022-01-06 US disclosed
WO-2020099349-A1 COMPOUNDS THAT CAN BE USED FOR PRODUCING AN ORGANIC ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-05-22 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 (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-20220006018-A1 COMPOUNDS THAT CAN BE USED FOR PRODUCING AN ORGANIC ELECTRONIC DEVICE EED, ICMT, DDT CRHBP 4665/4885CRHR2 4721/4885ADORA1 3683/4885

“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.