SCHEMBL106092

SCHEMBL106092

Cc1ccc(OC(C)C)cn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
KMT2A Q03164 3/20 0.40
ACACB O00763 2/20 0.39
PARP10 Q53GL7 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNB3 Q05901 1/20 0.38
GRM5 P41594 1/20 0.38
MAPT P10636 1/20 0.38
ABL1 P00519 1/20 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
Formaldehyde SCHEMBL27832667 0.94 ALDH1A3 (0.41) ALDH1A3CHRNB2CHRNA4KMT2AACACB
SCHEMBL15006226 0.83 CHRNB2 (0.39) CHRNB2CHRNA4KMT2ACHRNB1CHRNB4
SCHEMBL12147787 0.81 RXRA (0.41) CHRNB2CHRNA4KMT2ACHRNB1CHRNB4
SCHEMBL1000603 0.78 NOS3 (0.46) ALDH1A3KMT2AACACBPARP10
SCHEMBL17662611 0.78 KMT2A (0.42) CHRNB2CHRNA4KMT2ACHRNB1CHRNB4
SCHEMBL11951648 0.77 KDM4E (0.40) ALDH1A3KMT2AACACBPARP10
SCHEMBL12924083 0.77 ALDH1A3 (0.39) ALDH1A3KMT2AACACBPARP10
SCHEMBL17420414 0.77 ALDH1A3 (0.39) ALDH1A3KMT2AACACBPARP10
Hydrochloric Acid SCHEMBL710140 0.77 NOS3 (0.45) ALDH1A3KMT2AACACBPARP10
SCHEMBL4741323 0.77 SYK (0.43) ALDH1A3CHRNB2CHRNA4KMT2AACACB

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 115 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472963-A1 DGK TARGETING COMPOUNDS AND USES THEREOF Arvinas Operations, Inc. (US) 2024-12-11 EP disclosed
CN-118946556-A DGK targeting compounds and uses thereof 阿维纳斯运营公司 2024-11-12 CN disclosed
US-11834447-B2 Indole derivatives and use thereof PURDUE PHARMA L.P. (US) 2023-12-05 US disclosed
EP-3728216-B1 PYRAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-09-06 EP disclosed
WO-2023150186-A1 DGK TARGETING COMPOUNDS AND USES THEREOF ARVINAS OPERATIONS, INC. (US) 2023-08-10 WO disclosed
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2023-07-20 US disclosed
WO-2023083343-A1 POLYCYCLIC COMPOUNDS AND METHODS THEREOF HEPAITECH (BEIJING) BIOPHARMA TECHNOLOGY CO., LTD. (CN) 2023-05-19 WO disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
EP-3728240-B1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-06-29 EP disclosed
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 US disclosed
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases LNCYTE CORPORATION (US) 2008-07-10 US disclosed
US-5563159-A Dithiocarbonimide derivatives useful as acaricidal, fungicidal, and insecticidal agents SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-08 US disclosed
US-4923504-A 2-(2-Imidazolin-2-yl)pyridines and quinolines, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1990-05-08 US disclosed
US-4798619-A 2-(2-imidazolin-2-yl)-pyridines and quinolines and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1989-01-17 US disclosed
US-4638068-A 2-(2-imidazolin-2-yl)-pyridines and quinolines, process and intermediates for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1987-01-20 US disclosed
EP-0095104-B1 PROCESS FOR THE PREPARATION OF PYRIDYL AND QUINOLYL IMIDAZOLINONES AMERICAN CYANAMID COMPANY (US) 1986-12-17 EP disclosed
US-4474962-A CYCLIZATION, ONE STEP AMERICAN CYANAMID COMPANY (US) 1984-10-02 US disclosed
WO-1983004252-A1 PROCESS FOR THE PREPARATION OF PYRIDYL AND QUINOLYL IMIDAZOLINONES AMERICAN CYANAMID COMPANY (US) 1983-12-08 WO disclosed
EP-0095104-A2 Process for the preparation of pyridyl and quinolyl imidazolinones AMERICAN CYANAMID COMPANY (US) 1983-11-30 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 (4 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-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 ALDH1A3 1397/4885CHRNB2 4786/4885CHRNA4 4856/4885
US-11834447-B2 Indole derivatives and use thereof TRPC4, TRPV4, TRPV1 ALDH1A3 1156/4885CHRNB2 657/4885CHRNA4 163/4885
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, G3BP1, NRAS ALDH1A3 3236/4885CHRNB2 4840/4885CHRNA4 4856/4885
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases MMP25, MMP9, MMP24 ALDH1A3 920/4885CHRNB2 4870/4885CHRNA4 4855/4885

“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.