Sugi Predict

Sugi Predict / Compounds / SCHEMBL22432003

SCHEMBL22432003

SCHEMBL22432003

Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)ccc1-c1cccc2c1oc1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.42
▸ CA12 O43570 5/20 0.40
▸ CA1 P00915 5/20 0.40
▸ CA2 P00918 5/20 0.40
▸ CA9 Q16790 5/20 0.40
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ GGPS1 O95749 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PRKDC P78527 4/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ PTGES2 Q9H7Z7 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
SCHEMBL22432002 0.96 ALOX5 (0.44) ALOX5CA12CA1CA2CA9
SCHEMBL22432001 0.96 ALOX5 (0.44) ALOX5CA12CA1CA2CA9
SCHEMBL22431998 0.92 ALOX5 (0.46) ALOX5CA12CA1CA2CA9
SCHEMBL22432106 0.92 CA12 (0.47) ALOX5CA12CA1CA2CA9
SCHEMBL17547772 0.90 ALOX5 (0.46) ALOX5CA12CA1CA2CA9
SCHEMBL22432082 0.90 CA12 (0.37) ALOX5CA12CA1CA2CA9
SCHEMBL15807997 0.89 ALOX5 (0.50) ALOX5CA12CA1CA2CA9
SCHEMBL15808000 0.89 ALOX5 (0.50) ALOX5CA12CA1CA2CA9
SCHEMBL17153909 0.88 CA12 (0.44) CA12CA1CA2CA9ENPP3
SCHEMBL16687869 0.88 CA12 (0.44) CA12CA1CA2CA9ENPP3

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-20230159479-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-05-25 — — US disclosed
US-20230159479-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-05-25 — — US disclosed
WO-2020189316-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2020-09-24 — — WO disclosed
US-20200290985-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-09-17 — — 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-20230159479-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE PIEZO1, RER1, OR10J3 ALOX5 3071/4885CA12 3146/4885CA1 3514/4885
US-20200290985-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE PIEZO1, RER1, OR10J3 ALOX5 3071/4885CA12 3146/4885CA1 3514/4885

“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.