SCHEMBL17833608

SCHEMBL17833608

COc1cc(Cl)ccc1-c1cc2c3ccccc3c(B(c3ccccc3-c3ccccc3)c3cccc4c3C(C)(C)c3ccccc3-4)cc2c2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.33
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
PTGER1 P34995 1/20 0.31
FFAR2 O15552 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL19646206 0.86 ACP1 (0.30)
SCHEMBL17833609 0.84
SCHEMBL17833616 0.83 AURKA (0.36) CRHR1AURKAAURKBPTGER1ALDH1A1
SCHEMBL17833604 0.78 CRHR1 (0.36) CRHR1AURKAAURKBALDH1A1KMT2A
SCHEMBL17833630 0.74 CRHR1 (0.35) CRHR1AURKAAURKBKMT2A
SCHEMBL17833607 0.73 HSP90AA1 (0.36) CRHR1ALDH1A1KMT2A
SCHEMBL17883779 0.72 CRHR1 (0.41) CRHR1AURKAAURKBPTGER1KMT2A
SCHEMBL17833617 0.71 CRHR1 (0.34) CRHR1AURKAAURKBKMT2A
SCHEMBL17833621 0.70 HSP90AA1 (0.35) CRHR1ALDH1A1LMNAKMT2A
SCHEMBL17833642 0.69 CRHR1 (0.36) CRHR1KMT2A

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 858/4885AURKA 279/4885AURKB 484/4885

“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.