SCHEMBL762955

SCHEMBL762955

Bc1cc(-c2cc(-c3ccccc3)c(-c3ccccc3)cc2B)c(Br)cc1-c1cc(-c2ccccc2)c(-c2ccccc2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 3/20 0.45
BACE1 P56817 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
AKR1C1 Q04828 2/20 0.33
ALOX5 P09917 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 2/20 0.31
HPGD P15428 1/20 0.31
BCL2L1 Q07817 1/20 0.31
CYP2A6 P11509 1/20 0.31
MAOB P27338 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL14373959 1.00 ALDH1A1 (0.45) ALDH1A1MAPK1BACE1CRHBPCRHR2
SCHEMBL734059 0.87 ALDH1A1 (0.56) ALDH1A1MAPK1BACE1CRHBPCRHR2
SCHEMBL18828880 0.85 ALDH1A1 (0.54) ALDH1A1MAPK1BACE1CRHBPCRHR2
SCHEMBL14373924 0.83 CRHBP (0.41) ALDH1A1MAPK1CRHBPCRHR2AKR1C3
SCHEMBL12403015 0.83 ALDH1A1 (0.52) ALDH1A1MAPK1BACE1CRHBPCRHR2
SCHEMBL13141940 0.83 BACE1 (0.46) ALDH1A1MAPK1BACE1ALOX5HSD17B10
SCHEMBL12403069 0.79 ALDH1A1 (0.48) ALDH1A1MAPK1BACE1CRHBPCRHR2
SCHEMBL29405259 0.78 ALDH1A1 (0.62) ALDH1A1MAPK1BACE1CRHBPCRHR2
SCHEMBL735086 0.78 ALDH1A1 (0.62) ALDH1A1MAPK1BACE1CRHBPCRHR2
SCHEMBL2470342 0.78 ALDH1A1 (0.62) ALDH1A1MAPK1BACE1CRHBPCRHR2

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-8138355-B2 Heteroacene derivative, tetrahaloterphenyl derivative, and processes for producing the same TOSOH CORPORATION (JP) 2012-03-20 US disclosed
US-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME TOSOH CORPORATION (JP) 2009-10-22 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-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME AS3MT, TERT, TEAD1 ALDH1A1 2196/4885MAPK1 951/4885BACE1 1727/4885

“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.