SCHEMBL17833630

SCHEMBL17833630

COc1cc(Cl)ccc1-c1cc2c3ccccc3c(B(c3ccccc3)c3cccc4ccccc34)cc2c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.35
ACHE P22303 3/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
BCHE P06276 1/20 0.34
SCN9A Q15858 3/20 0.34
GRM5 P41594 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
METAP2 P50579 1/20 0.33
SCN5A Q14524 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL17833642 0.91 CRHR1 (0.36) CRHR1ACHEBCHESCN9AMEN1
SCHEMBL17833604 0.90 CRHR1 (0.36) CRHR1AURKAAURKBGRM5MEN1
SCHEMBL17833617 0.88 CRHR1 (0.34) CRHR1AURKAAURKBSCN9AGRM5
SCHEMBL17833616 0.87 AURKA (0.36) CRHR1AURKAAURKBGRM5KMT2A
SCHEMBL17833632 0.84 KMT2A (0.41) MEN1NPC1POLBKMT2AMAPT
SCHEMBL17879912 0.84 CRHR1 (0.41) CRHR1ACHEBCHESCN9AGRM5
SCHEMBL17883779 0.84 CRHR1 (0.41) CRHR1AURKAAURKBSCN9AGRM5
SCHEMBL17879925 0.81 TRPV4 (0.38) CRHR1AURKAAURKBSCN9AGRM5
SCHEMBL17833607 0.80 HSP90AA1 (0.36) CRHR1MEN1NPC1POLBKMT2A
SCHEMBL17833615 0.77 CRHR1 (0.32) CRHR1MEN1POLBKMT2A

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-9831445-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-28 US disclosed
US-9831445-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-28 US disclosed
US-20160172594-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-16 US disclosed
US-20160172594-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-16 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-20160172594-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 CRHR1 858/4885ACHE 3147/4885AURKA 279/4885

“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.