SCHEMBL17875736

SCHEMBL17875736

c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3ccc(-c5ccc6c(c5)oc5ccccc56)cc3CSC4)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ATM Q13315 1/20 0.35
AHR P35869 2/20 0.35
PLA2G2A P14555 3/20 0.35
PLA2G4A P47712 3/20 0.35
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 0.34
HCRTR1 O43613 1/20 0.34
PRKDC P78527 1/20 0.33
PLA2G10 O15496 1/20 0.33
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
SCHEMBL17875794 1.00 MMP12 (0.38) MMP12MMP13NPC1RAB9AATM
SCHEMBL17875782 0.95 MMP12 (0.40) MMP12MMP13NPC1RAB9AATM
SCHEMBL17875727 0.94 AHR (0.40) MMP12MMP13NPC1RAB9AATM
SCHEMBL17875744 0.93 PLA2G2A (0.40) MMP12MMP13NPC1RAB9AAHR
SCHEMBL17875766 0.93 PLA2G2A (0.40) MMP12MMP13NPC1RAB9AAHR
SCHEMBL17875740 0.90 MEN1 (0.37) MMP12MMP13NPC1RAB9AATM
SCHEMBL17875738 0.90 HCRTR1 (0.33) MMP12MMP13NPC1RAB9AATM
SCHEMBL17875803 0.90 HCRTR1 (0.33) MMP12MMP13NPC1RAB9AATM
SCHEMBL17875785 0.89 AHR (0.44) MMP12MMP13NPC1RAB9AATM
SCHEMBL17875737 0.88 CYP11B1 (0.40) 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 MMP12 4056/4885MMP13 3950/4885NPC1 2673/4885
US-20160190482-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 MMP12 4056/4885MMP13 3950/4885NPC1 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.