SCHEMBL22211891

SCHEMBL22211891

c1cc2c3c(cccc3c1)-c1cc(-n3c4ccccc4c4c5ccc6ccc7ccccc7c6c5ccc43)ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 4/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 3/20 0.38
HPGD P15428 3/20 0.38
CASP1 P29466 3/20 0.38
HIF1A Q16665 2/20 0.38
CASP7 P55210 2/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ATM Q13315 2/20 0.38
ANPEP P15144 1/20 0.35
CYP1A2 P05177 2/20 0.35
ERBB2 P04626 1/20 0.35
FYN P06241 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
AHR P35869 1/20 0.35
THRB P10828 1/20 0.33
DNMT1 P26358 2/20 0.33

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
SCHEMBL17341218 0.96 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRMAPK1HPGD
SCHEMBL22211999 0.92 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRMAPK1HPGD
SCHEMBL21676134 0.90 ALDH1A1 (0.34) ALDH1A1HSD17B10TSHRMAPK1HPGD
SCHEMBL21676138 0.89 ALDH1A1 (0.36) ALDH1A1HSD17B10TSHRMAPK1HPGD
SCHEMBL21676143 0.89 L3MBTL1 (0.36) ALDH1A1HSD17B10TSHRMAPK1HPGD
SCHEMBL21676137 0.89 ALDH1A1 (0.36) ALDH1A1HSD17B10TSHRMAPK1HPGD
SCHEMBL21676096 0.89 L3MBTL1 (0.36) ALDH1A1HSD17B10TSHRMAPK1HPGD
SCHEMBL17341215 0.86 ALDH1A1 (0.37) ALDH1A1HSD17B10TSHRMAPK1HPGD
SCHEMBL21676150 0.86 ALDH1A1 (0.33) ALDH1A1HSD17B10TSHRMAPK1HPGD
SCHEMBL22211953 0.86 L3MBTL1 (0.38) ALDH1A1HSD17B10TSHRMAPK1HPGD

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-11706981-B2 Organic light emitting device and compounds for use in same IDEMITSU KOSAN CO., LTD. (JP) 2023-07-18 US disclosed
US-11706981-B2 Organic light emitting device and compounds for use in same IDEMITSU KOSAN CO., LTD. (JP) 2023-07-18 US disclosed
US-20200227652-A1 ORGANIC LIGHT EMITTING DEVICE AND COMPOUNDS FOR USE IN SAME IDEMITSU KOSAN CO., LTD. (JP) 2020-07-16 US disclosed
EP-3680242-A1 ORGANIC LIGHT EMITTING DEVICE AND COMPOUNDS FOR USE IN SAME Idemitsu Kosan Co., Ltd. (JP) 2020-07-15 EP 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-11706981-B2 Organic light emitting device and compounds for use in same SLCO4C1, XPO6, ERCC1 ALDH1A1 499/4885HSD17B10 3351/4885TSHR 3746/4885
US-20200227652-A1 ORGANIC LIGHT EMITTING DEVICE AND COMPOUNDS FOR USE IN SAME SLCO4C1, XPO6, ERCC1 ALDH1A1 499/4885HSD17B10 3351/4885TSHR 3746/4885

“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.