SCHEMBL17876313

SCHEMBL17876313

c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)ccc3CN(c3ccccc3)C4)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.48
CYP11B2 P19099 10/20 0.47
CYP11B1 P15538 9/20 0.47
CYP19A1 P11511 4/20 0.43
CYP17A1 P05093 2/20 0.43
CYP1A2 P05177 5/20 0.43
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDR P35968 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
TYRO3 Q06418 1/20 0.40
NTRK2 Q16620 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL17876310 0.99 CYP11B2 (0.48) TDP2CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL17876270 0.95 TDP2 (0.47) TDP2CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL17876263 0.95 TDP2 (0.47) TDP2CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL17876273 0.94 CYP11B1 (0.47) TDP2CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL17876315 0.92 CYP19A1 (0.51) TDP2CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL17876283 0.88 CYP19A1 (0.47) TDP2CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL17876272 0.88 CYP19A1 (0.47) TDP2CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL17876312 0.87 NPC1 (0.49) TDP2CYP1A2NPC1RAB9ATYRO3
SCHEMBL17876288 0.87 PIM1 (0.39) TDP2CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL17876298 0.86 CYP11B1 (0.38) TDP2CYP11B2CYP11B1CYP19A1CYP17A1

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 TDP2 3979/4885CYP11B2 1374/4885CYP11B1 938/4885
US-20160190482-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 TDP2 3979/4885CYP11B2 1374/4885CYP11B1 938/4885

“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.