SCHEMBL17875844

SCHEMBL17875844

c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3ccc(-c5ccc6c(c5)oc5ccccc56)cc3COC4)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
ATM Q13315 1/20 0.38
PRKDC P78527 5/20 0.36
AHR P35869 2/20 0.36
PLA2G2A P14555 3/20 0.36
PLA2G4A P47712 3/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TDP2 O95551 1/20 0.35
HCRTR1 O43613 1/20 0.34
PLA2G10 O15496 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 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
SCHEMBL17875856 1.00 NPC1 (0.38) NPC1RAB9AMMP12MMP13ATM
SCHEMBL17875896 0.95 NPC1 (0.41) NPC1RAB9AMMP12MMP13ATM
SCHEMBL17875831 0.94 AHR (0.41) NPC1RAB9AMMP12MMP13ATM
SCHEMBL17875857 0.93 PLA2G2A (0.40) NPC1RAB9AMMP12MMP13ATM
SCHEMBL17875841 0.93 PLA2G2A (0.40) NPC1RAB9AMMP12MMP13ATM
SCHEMBL17875846 0.90 NPC1 (0.38) NPC1RAB9AMMP12MMP13ATM
SCHEMBL17875836 0.90 HCRTR1 (0.34) NPC1RAB9AMMP12MMP13ATM
SCHEMBL17875873 0.90 HCRTR1 (0.34) NPC1RAB9AMMP12MMP13ATM
SCHEMBL17875893 0.88 AHR (0.45) NPC1RAB9AMMP12MMP13ATM
SCHEMBL17875864 0.88 CYP11B1 (0.41) NPC1RAB9AMAPTKDM4EALDH1A1

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 NPC1 2673/4885RAB9A 2843/4885MMP12 4056/4885
US-20160190482-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 NPC1 2673/4885RAB9A 2843/4885MMP12 4056/4885

“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.