SCHEMBL7304531

SCHEMBL7304531

COc1ccc(C=O)c(C(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
TYR P14679 2/20 0.58
TRIM24 O15164 1/20 0.58
TRIM33 Q9UPN9 1/20 0.58
ERN1 O75460 3/20 0.53
HTT P42858 1/20 0.49
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2D6 P10635 2/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL15614302 0.85 ERN1 (0.58) ALDH1A1TYRTRIM24TRIM33ERN1
SCHEMBL4261526 0.82 ERN1 (0.43) ALDH1A1ERN1HTTCYP1A2MAPT
SCHEMBL25120915 0.82 ALDH1A1 (0.40) ALDH1A1TYRTRIM24TRIM33ERN1
SCHEMBL2467986 0.81 CYP1A2 (0.44) ALDH1A1TYRTRIM24TRIM33HTT
SCHEMBL12133990 0.80 PDE2A (0.40) ALDH1A1TYRTRIM24TRIM33ERN1
SCHEMBL24172496 0.78 ADRA1A (0.62) ALDH1A1TYRTRIM24TRIM33ERN1
SCHEMBL12672585 0.78 ALDH1A1 (0.70) ALDH1A1TYRTRIM24TRIM33ERN1
SCHEMBL29957021 0.78 ALDH1A1 (0.70) ALDH1A1TYRTRIM24TRIM33ERN1
SCHEMBL490211 0.77 THRB (0.53) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL490210 0.77 THRB (0.53) ALDH1A1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4387603-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF Enanta Pharmaceuticals, Inc. (US) 2024-06-26 EP disclosed
US-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2023-05-11 US disclosed
WO-2023023310-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2023-02-23 WO disclosed
WO-2023023310-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2023-02-23 WO disclosed
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed
US-5578623-A DRUGS FOR TREATMENT OF ARTHRITIS, PANCREATITIS, CYSTIC FIBROSIS, BRONCHITIS, RESPIRATORY DISORDERS STERLING WINTHROP INC. (US) 1996-11-26 US disclosed
US-5464852-A Used in treatment of degenerative diseases STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5380737-A Enzyme inhibitors STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0542371-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP disclosed
EP-0352672-A2 Process for the preparation of alkenyl aromatic compounds BASF Aktiengesellschaft (DE) 1990-01-31 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 (1 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-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF HSD17B1, HSD17B13, HSD17B3 ALDH1A1 125/4885TYR 4377/4885TRIM24 2713/4885

“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.