SCHEMBL17877702

SCHEMBL17877702

CC1(C)Oc2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)ccc2-c2cc(-n3c4ccccc4c4cc(C#N)ccc43)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.37
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ABCC9 O60706 3/20 0.33
CYP1A1 P04798 2/20 0.32
CYP1B1 Q16678 2/20 0.32
PTGER4 P35408 1/20 0.32
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
ADORA1 P30542 1/20 0.31
ABCB1 P08183 4/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
ALDH1A3 P47895 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
AKT1 P31749 2/20 0.30
AKT2 P31751 2/20 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
SCHEMBL17876125 0.97 MYC (0.37) MYCKDM4ENPC1ALDH1A1GAA
SCHEMBL17877833 0.96 MYC (0.38) MYCKDM4ENPC1ALDH1A1GAA
SCHEMBL17877896 0.92 EDNRA (0.33) ABCC9PTGER4CTSDBACE1ABCB1
SCHEMBL17876164 0.90 KDM4E (0.34) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL17877831 0.88 ABCC9 (0.33) ABCC9PTGER4ABCB1EDNRBEDNRA
SCHEMBL17877827 0.87 CYP11B2 (0.39) CTSDBACE1FLT3SLK
SCHEMBL17876119 0.87 KDM4E (0.34) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL17877869 0.87 ABCC9 (0.34) KDM4EALDH1A1MAPTABCC9PTGER4
SCHEMBL17877871 0.87 ABCC9 (0.34) KDM4EALDH1A1MAPTABCC9PTGER4
SCHEMBL17877879 0.86 ALDH1A1 (0.42) MYCKDM4ENPC1ALDH1A1GAA

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-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

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 MYC 2102/4885KDM4E 3120/4885NPC1 2673/4885
US-20160190482-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 MYC 2102/4885KDM4E 3120/4885NPC1 2673/4885

“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.