SCHEMBL22011577

SCHEMBL22011577

C[S+]([O-])c1ccccc1-c1cccc2cccc(-c3ccccc3[S+](C)[O-])c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.54
▸ HSD17B10 Q99714 6/20 0.54
▸ MAPK1 P28482 4/20 0.54
▸ TSHR P16473 4/20 0.54
▸ ATM Q13315 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ HPGD P15428 5/20 0.48
▸ CASP1 P29466 3/20 0.48
▸ CASP7 P55210 2/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ PABPC1 P11940 2/20 0.44
▸ DNMT1 P26358 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CES2 O00748 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.38
▸ TYMS P04818 2/20 0.38

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
SCHEMBL23824812 0.82 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL24589026 0.78 — —
SCHEMBL19257407 0.77 CDK4 (0.36) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL24117185 0.76 ALDH1A1 (0.34) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL2209672 0.75 NPC1 (0.38) ALDH1A1TSHRHPGDCYP3A4CYP1A2
SCHEMBL19257496 0.75 CDK4 (0.38) PARP1
SCHEMBL25006606 0.74 ALDH1A1 (0.35) ALDH1A1HSD17B10TSHRL3MBTL1HPGD
SCHEMBL10014625 0.74 IMPDH2 (0.45) ALDH1A1HSD17B10ATMHPGDBCHE
SCHEMBL14951394 0.73 MAPK1 (0.41) ALDH1A1HSD17B10MAPK1L3MBTL1HPGD
SCHEMBL18529231 0.73 CYP2A6 (0.39) ALDH1A1HSD17B10MAPK1TSHRL3MBTL1

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-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 — — US disclosed
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 — — US disclosed
CN-113195500-B Material for organic electroluminescent device 默克专利有限公司 2024-05-17 — — CN disclosed
EP-3880682-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-14 — — EP disclosed
EP-3880682-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-14 — — EP disclosed
US-20220223801-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-07-14 — — US disclosed
US-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-01-06 — — US disclosed
WO-2020099307-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-22 — — WO 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-20220223801-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES TMEM109, PIEZO1, L1CAM ALDH1A1 8/4885HSD17B10 1776/4885MAPK1 60/4885
US-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES ZYX, RER1, AOC2 ALDH1A1 1119/4885HSD17B10 4135/4885MAPK1 560/4885
US-12035625-B2 Materials for organic electroluminescent devices ZYX, RER1, AOC2 ALDH1A1 1119/4885HSD17B10 4135/4885MAPK1 560/4885

“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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