SCHEMBL21532709

SCHEMBL21532709

c1ccc(-c2nnc(-c3cccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccc8c9ccccc9oc8c76)c5)c34)n2-c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TSHR P16473 2/20 0.36
ALOX5 P09917 2/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AVPR1A P37288 1/20 0.34
OPRD1 P41143 2/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
BRCA1 P38398 1/20 0.32
PPARG P37231 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL21532304 0.97 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10TSHRALOX5
SCHEMBL21532256 0.93 ALOX5 (0.34) ALDH1A1KDM4EHSD17B10TSHRALOX5
SCHEMBL21532605 0.93 ALDH1A1 (0.33) ALDH1A1KDM4EHSD17B10TSHRALOX5
SCHEMBL21532619 0.93 KDM4E (0.37) ALDH1A1KDM4EHSD17B10TSHRALOX5
SCHEMBL21532544 0.92 KDM4E (0.36) ALDH1A1KDM4EHSD17B10TSHRALOX5
SCHEMBL21532715 0.92 KDM4E (0.37) ALDH1A1KDM4EHSD17B10TSHRALOX5
SCHEMBL21532618 0.91 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10TSHRALOX5
SCHEMBL21532606 0.91 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10TSHRALOX5
SCHEMBL21532296 0.91 ALDH1A1 (0.33) ALDH1A1KDM4EHSD17B10TSHRALOX5
SCHEMBL21532716 0.90 KDM4E (0.35) ALDH1A1KDM4EHSD17B10TSHRALOX5

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-11145825-B2 Condensed cyclic compound and organic light-emitting device including i he same SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-10-12 US disclosed
US-20190334095-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-10-31 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-11145825-B2 Condensed cyclic compound and organic light-emitting device including i he same CRY1, CCNT1, CCNA1 ALDH1A1 158/4885KDM4E 4144/4885HSD17B10 2103/4885
US-20190334095-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, ARL1 ALDH1A1 283/4885KDM4E 3893/4885HSD17B10 2716/4885

“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.