Sugi Predict

Sugi Predict / Compounds / SCHEMBL1082701

SCHEMBL1082701

SCHEMBL1082701

CC(C)C(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.53
▸ CA2 P00918 1/20 0.43
▸ HSD11B1 P28845 3/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SCN1A P35498 1/20 0.41
▸ SCN2A Q99250 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41

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
SCHEMBL19718856 1.00 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10CA2HSD11B1
SCHEMBL26382348 0.86 SMN1; SMN2 (0.46) ALDH1A1MAPTHSD17B10L3MBTL1
SCHEMBL26081355 0.84 ALDH1A1 (0.55) ALDH1A1MAPTHSD17B10CA2HSD11B1
SCHEMBL11635652 0.82 ALDH1A1 (0.53) ALDH1A1MAPTHSD17B10CA2EPHX1
SCHEMBL2526511 0.82 ALDH1A1 (0.53) ALDH1A1MAPTHSD17B10CA2HSD11B1
SCHEMBL4474350 0.82 HSD17B10 (0.54) ALDH1A1MAPTHSD17B10CA2HSD11B1
SCHEMBL14696638 0.80 ALDH1A1 (0.51) ALDH1A1MAPTHSD17B10CA2HSD11B1
SCHEMBL22548765 0.80 ALDH1A1 (0.41) ALDH1A1MAPTHSD17B10CA2L3MBTL1
SCHEMBL10160864 0.77 ALDH1A1 (0.41) ALDH1A1MAPTHSD17B10CA2EPHX1
Ammonia Solution, Strong SCHEMBL11636588 0.77 HSD17B10 (0.50) ALDH1A1MAPTHSD17B10CA2HSD11B1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158141-A1 Conjugates of Biomolecule and Use Thereof YAFEI SHANGHAI BIOLOG MEDICINE SCIENCE & TECHNOLOG (CN) 2023-05-25 — — US disclosed
WO-2022266491-A1 PROTEOLYSIS TARGETING CHIMERAS AND POLYPHARMACOLOGICAL AGENTS TARGETING BCL-2, AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-12-22 — — WO disclosed
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos C4 THERAPEUTICS, INC. (US) 2022-08-09 — — US disclosed
US-8481016-B2 Method for inhibition of potential-dependent cation channel KAO CORPORATION (JP) 2013-07-09 — — US disclosed
US-20130045177-A1 Method for Inhibition of Potential-Dependent Cation Channel KAO CORPORATION (JP) 2013-02-21 — — US disclosed
US-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2011-08-18 — — US disclosed
US-20110028510-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2011-02-03 — — US disclosed
WO-2011001258-A1 COMPOSITIONS, METHODS, AND KITS FOR TREATING VIRAL AND BACTERIAL INFECTIONS BY TOCOTRIENOLS, TOCOMONOENOLS, TOCODIENOLS, TOCOPHEROLS, AND THEIR DERIVATES EVITA LIFE SCIENCE PTE. LTD (SG) 2011-01-06 — — WO disclosed
WO-2010095041-A2 COMPOSITIONS, METHODS, AND KITS FOR TREATING INFLUENZA VIRAL INFECTIONS EXCRX (SINGAPORE) PTE.LTD. (SG) 2010-08-26 — — WO disclosed
US-20070207093-A1 Hydrazone derivatives and uses thereof LINQUAGEN CORP. 2007-09-06 — — US disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 — — US disclosed
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases COMBINATORX, INC. 2006-11-30 — — US disclosed
WO-2006119295-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES COMBINATORX, INCORPORATED (US) 2006-11-09 — — 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 (8 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-20130045177-A1 Method for Inhibition of Potential-Dependent Cation Channel TRPM7, TRPM8, OR10J3 ALDH1A1 844/4885MAPT 4039/4885HSD17B10 1728/4885
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases PSEN2, PSEN1, HTT ALDH1A1 3571/4885MAPT 5/4885HSD17B10 1538/4885
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos CRBN, IKZF1, IKZF3 ALDH1A1 3827/4885MAPT 1742/4885HSD17B10 3566/4885
US-20230158141-A1 Conjugates of Biomolecule and Use Thereof CD47, FCGR2A, CD40 ALDH1A1 2422/4885MAPT 3838/4885HSD17B10 3677/4885
US-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 ALDH1A1 1992/4885MAPT 2537/4885HSD17B10 3762/4885
US-20070207093-A1 Hydrazone derivatives and uses thereof TAS2R1, TAS2R5, TAS1R1 ALDH1A1 72/4885MAPT 4421/4885HSD17B10 1177/4885
US-20110028510-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 ALDH1A1 1992/4885MAPT 2537/4885HSD17B10 3762/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI ALDH1A1 3986/4885MAPT 1275/4885HSD17B10 354/4885

“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.