SCHEMBL17875830

SCHEMBL17875830

c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4c(c3)-c3ccc(-c5cccc6c5oc5ccccc56)cc3COC4)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.42
CYP11B1 P15538 7/20 0.38
CYP11B2 P19099 7/20 0.38
CYP1A2 P05177 4/20 0.38
PRKDC P78527 5/20 0.38
TDP2 O95551 2/20 0.38
PGR P06401 1/20 0.36
GGPS1 O95749 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL17875863 1.00 ALOX5 (0.42) ALOX5CYP11B1CYP11B2CYP1A2PRKDC
SCHEMBL17875892 0.96 ALOX5 (0.46) ALOX5CYP11B1CYP11B2CYP1A2PRKDC
SCHEMBL17875851 0.89 CYP11B1 (0.39) CYP11B1CYP11B2CYP1A2PRKDCTDP2
SCHEMBL17875866 0.89 CYP11B1 (0.39) CYP11B1CYP11B2CYP1A2PRKDCTDP2
SCHEMBL17875827 0.89 ALOX5 (0.48) ALOX5PRKDCGGPS1
SCHEMBL17875855 0.89 ALOX5 (0.48) ALOX5PRKDCGGPS1
SCHEMBL17875849 0.88 CYP11B1 (0.41) CYP11B1CYP11B2CYP1A2TDP2PGR
SCHEMBL17875835 0.88 CYP11B1 (0.41) CYP11B1CYP11B2CYP1A2TDP2PGR
SCHEMBL17875865 0.88 CYP11B1 (0.41) CYP11B1CYP11B2CYP1A2TDP2PGR
SCHEMBL17875864 0.88 CYP11B1 (0.41) CYP11B1CYP11B2CYP1A2TDP2PGR

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 ALOX5 3059/4885CYP11B1 938/4885CYP11B2 1374/4885
US-20160190482-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 ALOX5 3059/4885CYP11B1 938/4885CYP11B2 1374/4885

“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.