SCHEMBL17876038

SCHEMBL17876038

c1ccc(-c2cc(-c3ccc4c(c3)-c3ccc(-c5ccc6c(c5)oc5ccccc56)cc3OCO4)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.44
ADORA2A P29274 3/20 0.44
ADORA3 P0DMS8 2/20 0.44
NPC1 O15118 5/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LTB4R Q15722 3/20 0.40
HPGD P15428 2/20 0.40
TNKS O95271 1/20 0.40
TP53 P04637 2/20 0.39
DHODH Q02127 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 1/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL17876073 1.00 ADORA1 (0.44) ADORA1ADORA2AADORA3NPC1MAPT
SCHEMBL17876099 0.96 ADORA1 (0.44) ADORA1ADORA2AADORA3NPC1MAPT
SCHEMBL17876051 0.94 ADORA1 (0.44) ADORA1ADORA2AADORA3NPC1MAPT
SCHEMBL17876076 0.94 ADORA1 (0.44) ADORA1ADORA2AADORA3NPC1MAPT
SCHEMBL17876037 0.90 ALDH1A1 (0.43) NPC1MAPTKDM4EALDH1A1GAA
SCHEMBL17876058 0.90 ALDH1A1 (0.43) NPC1MAPTKDM4EALDH1A1GAA
SCHEMBL17876105 0.89 PDE10A (0.45) ADORA1ADORA2AADORA3NPC1MAPT
SCHEMBL17876031 0.89 MAPT (0.48) NPC1MAPTKDM4EALDH1A1GAA
SCHEMBL17876055 0.89 KDM4E (0.41) ADORA1ADORA2AADORA3NPC1MAPT
SCHEMBL17876074 0.89 KDM4E (0.41) ADORA1ADORA2AADORA3NPC1MAPT

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 3 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
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 ADORA1 3862/4885ADORA2A 4680/4885ADORA3 3842/4885
US-20160190482-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 ADORA1 3862/4885ADORA2A 4680/4885ADORA3 3842/4885

“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.