SCHEMBL12611737

SCHEMBL12611737

c1ccc(-c2ccc(-c3ccc4ccc5c(-c6cccc(-n7c8ccccc8c8ccccc87)c6)ccc6ccc3c4c65)cc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 12/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ DHODH Q02127 1/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ DHFR P00374 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL12611740 0.94 HTR1A (0.42) GRM5HTR1AHTR7MAPK14DHFR
SCHEMBL9921061 0.93 MAPK14 (0.41) GRM5HTR1AHTR7MAPK14DHFR
SCHEMBL20276069 0.92 GRM5 (0.38) GRM5HTR1AHTR7DHODHMAPK14
SCHEMBL15446937 0.91 GRM5 (0.39) GRM5HTR1AHTR7DHODHMAPK14
SCHEMBL12613636 0.91 MCL1 (0.37) GRM5HTR1AHTR7DHODHMAPK14
SCHEMBL20276119 0.91 GRM5 (0.37) GRM5HTR1AHTR7DHODHMAPK14
SCHEMBL12611651 0.90 MAPT (0.39) DHODHMAPK14MCL1IRAK4KDM4E
SCHEMBL20276030 0.89 GRM5 (0.37) GRM5HTR1AHTR7DHODHMAPK14
SCHEMBL20276026 0.88 KDM4E (0.39) GRM5DHODHMAPK14MCL1IRAK4
SCHEMBL20276057 0.88 GRM5 (0.36) GRM5HTR1AHTR7MAPK14DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11362280-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2022-06-14 — — US disclosed
US-11342508-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2022-05-24 — — US disclosed
US-20180175302-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2018-06-21 — — US disclosed
US-20180175302-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2018-06-21 — — US disclosed
US-8502201-B2 Light-emitting element TORAY INDUSTRIES, INC. (JP) 2013-08-06 — — US disclosed
US-8502201-B2 Light-emitting element TORAY INDUSTRIES, INC. (JP) 2013-08-06 — — US disclosed
US-20110121268-A1 LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2011-05-26 — — US disclosed
US-20110121268-A1 LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2011-05-26 — — 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 (3 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-11342508-B2 Organic light-emitting device CRY1, CRY2, NR2E3 GRM5 2288/4885HTR1A 2031/4885HTR7 2012/4885
US-20180175302-A1 ORGANIC LIGHT-EMITTING DEVICE CRY1, CRY2, NR2E3 GRM5 2288/4885HTR1A 2031/4885HTR7 2012/4885
US-11362280-B2 Organic light-emitting device CRY1, CRY2, NR2E3 GRM5 2288/4885HTR1A 2031/4885HTR7 2012/4885

“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.

Send feedback