SCHEMBL22102810

SCHEMBL22102810

C=C/C=C\C=C(/C)c1cc(-c2cc(-c3ccccn3)cc(-c3ccc(-c4ccccc4)cn3)c2)cc(-c2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 9/20 0.36
▸ DHODH Q02127 1/20 0.34
▸ ESR1 P03372 2/20 0.34
▸ ESR2 Q92731 2/20 0.34
▸ HPGDS O60760 2/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ CHEK2 O96017 1/20 0.31

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
SCHEMBL25458684 0.86 MCL1 (0.38) MCL1ADORA3ADORA2BADORA1MEN1
SCHEMBL23900202 0.83 MCL1 (0.31) MCL1ADORA3ADORA2BADORA1
SCHEMBL20936376 0.80 MCL1 (0.41) MCL1ADORA3ADORA2BADORA1MEN1
SCHEMBL19368575 0.78 MCL1 (0.41) MCL1DHODHESR1ESR2ADORA3
SCHEMBL17932830 0.78 CYP19A1 (0.49) DHODHESR1ESR2HPGDSMEN1
SCHEMBL24627008 0.78 KDM4E (0.34) ADORA3ADORA2BADORA1CYP19A1
SCHEMBL22114508 0.75 KAT6A (0.35) HPGDSGRM5
SCHEMBL19074777 0.75 GRM5 (0.37) MCL1DHODHESR1ESR2GRM5
SCHEMBL23809574 0.74 HPGDS (0.53) HPGDSCHEK2
SCHEMBL24589096 0.74 MCL1 (0.37) MCL1DHODHADORA3ADORA2BADORA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11706973-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-18 — — US disclosed
US-20210104673-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2021-04-08 — — US disclosed
US-20200295279-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-09-17 — — US disclosed
US-20200190113-A1 CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DISPLAY APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-18 — — 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 (4 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-20200190113-A1 CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DISPLAY APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE OCIAD1, CRY1, OCIAD2 MCL1 3471/4885DHODH 387/4885ESR1 493/4885
US-11706973-B2 Condensed cyclic compound and organic light-emitting device including the same C1S, CCNT1, C9 MCL1 2616/4885DHODH 4144/4885ESR1 43/4885
US-20210104673-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME C1S, CCNT1, C9 MCL1 2616/4885DHODH 4144/4885ESR1 43/4885
US-20200295279-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE ORC3, ZC3HAV1L, ICMT MCL1 2013/4885DHODH 529/4885ESR1 985/4885

“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.

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