Sugi Predict

Sugi Predict / Compounds / SCHEMBL3323627

SCHEMBL3323627

SCHEMBL3323627

COc1ccccc1C1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)CC(c1ccccc1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.55
▸ TP53 P04637 5/20 0.55
▸ KDM4E B2RXH2 5/20 0.55
▸ NPSR1 Q6W5P4 5/20 0.55
▸ HSD17B10 Q99714 4/20 0.55
▸ USP2 O75604 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ NOTCH1 P46531 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ TSHR P16473 3/20 0.48
▸ GAA P10253 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ALOX15 P16050 2/20 0.47
▸ CASP1 P29466 2/20 0.47
▸ GLA P06280 1/20 0.47

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
SCHEMBL5471772 0.90 ALDH1A1 (0.57) ALDH1A1TP53KDM4ENPSR1HSD17B10
SCHEMBL5335476 0.87 ALDH1A1 (0.58) ALDH1A1TP53KDM4ENPSR1HSD17B10
SCHEMBL30938460 0.86 NOTCH1 (0.53) ALDH1A1TP53KDM4ENPSR1HSD17B10
SCHEMBL30938389 0.86 NOTCH1 (0.53) ALDH1A1TP53KDM4ENPSR1HSD17B10
SCHEMBL3329933 0.86 NOTCH1 (0.53) ALDH1A1TP53KDM4ENPSR1HSD17B10
SCHEMBL3324832 0.86 ALDH1A1 (0.49) ALDH1A1TP53KDM4ENPSR1HSD17B10
SCHEMBL30938444 0.86 NOTCH1 (0.54) ALDH1A1TP53KDM4ENPSR1HSD17B10
SCHEMBL30938392 0.86 NOTCH1 (0.54) ALDH1A1TP53KDM4ENPSR1HSD17B10
SCHEMBL31634748 0.86 NOTCH1 (0.54) ALDH1A1TP53KDM4ENPSR1HSD17B10
SCHEMBL31634789 0.86 NOTCH1 (0.54) ALDH1A1TP53KDM4ENPSR1HSD17B10

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-20210047278-A1 E3 UBIQUITIN LIGASE AGONISTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE E3 UBIQUITIN LIGASE AGONISTS, RELATED METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-18 — — US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 — — US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 — — US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 — — 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-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION APP, MAPT, PSEN1 ALDH1A1 2615/4885TP53 552/4885KDM4E 4115/4885
US-20210047278-A1 E3 UBIQUITIN LIGASE AGONISTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE E3 UBIQUITIN LIGASE AGONISTS, RELATED METHODS OF USE UBE3A, NEDD4, ADRM1 ALDH1A1 1174/4885TP53 317/4885KDM4E 2403/4885

“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.