SCHEMBL17875745

SCHEMBL17875745

c1ccc2c(c1)oc1cccc(-c3ccc4c(c3)CSCc3ccc(-c5cccc6oc7ccccc7c56)cc3-4)c12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.36
BACE1 P56817 1/20 0.33
NQO1 P15559 1/20 0.32
PRKDC P78527 1/20 0.30
MAOA P21397 1/20 0.30
PLA2G2A P14555 1/20 0.30
PLA2G4A P47712 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
SCHEMBL17875804 0.95 ALOX5 (0.40) ALOX5BACE1NQO1PRKDCMAOA
SCHEMBL17875730 0.94 PRKDC (0.36) ALOX5BACE1PRKDC
SCHEMBL17875759 0.94 ALOX5 (0.36) ALOX5BACE1PRKDCPLA2G2APLA2G4A
SCHEMBL17875758 0.94 PRKDC (0.36) ALOX5BACE1PRKDC
SCHEMBL17875741 0.94 ALOX5 (0.36) ALOX5BACE1PRKDCPLA2G2APLA2G4A
SCHEMBL17875742 0.93 ALOX5 (0.48) ALOX5BACE1PRKDC
SCHEMBL17875724 0.93 ALOX5 (0.48) ALOX5BACE1PRKDC
SCHEMBL17875762 0.93 PLA2G2A (0.36) ALOX5BACE1PRKDCPLA2G2APLA2G4A
SCHEMBL17875746 0.93 PLA2G2A (0.36) ALOX5BACE1PRKDCPLA2G2APLA2G4A
SCHEMBL17875814 0.89 ALOX5 (0.39) ALOX5BACE1PRKDCMAOAPLA2G2A

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 ALOX5 3059/4885BACE1 709/4885NQO1 851/4885
US-20160190482-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 ALOX5 3059/4885BACE1 709/4885NQO1 851/4885

“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.