SCHEMBL21740947

SCHEMBL21740947

COc1cc(COCC(=O)C(C)C)ccn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
ACACB O00763 2/20 0.40
ENPP2 Q13822 1/20 0.39
FFAR1 O14842 1/20 0.39
CDK2 P24941 6/20 0.36
GSK3B P49841 5/20 0.36
CCNE1 P24864 5/20 0.36
SLC13A5 Q86YT5 1/20 0.36
GRM2 Q14416 1/20 0.35
KCNB1 Q14721 1/20 0.35
EPHX2 P34913 1/20 0.35
PLA2G7 Q13093 1/20 0.35
RORC P51449 1/20 0.34
IL17A Q16552 1/20 0.34

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
SCHEMBL19002703 0.84 LOXL2 (0.53) LOXLOXL2ACACBENPP2FFAR1
SCHEMBL20665576 0.83 GRM5 (0.34)
SCHEMBL26540427 0.82 LOX (0.54) LOXLOXL2ACACBFFAR1CDK2
SCHEMBL19002701 0.81 LOXL2 (0.49) LOXLOXL2ACACBENPP2FFAR1
SCHEMBL21900624 0.79 ACACB (0.43) ACACBENPP2
SCHEMBL4018107 0.74 LOXL2 (0.59) LOXLOXL2ACACBENPP2FFAR1
SCHEMBL2092744 0.73 LOXL2 (0.67) LOXLOXL2ACACBENPP2FFAR1
SCHEMBL14935708 0.73 CA1 (0.50) FFAR1
SCHEMBL14945752 0.72 RAB9A (0.47)
SCHEMBL18082590 0.71 LOX (0.51) LOXLOXL2ACACBFFAR1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 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-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS LOX 2465/4885LOXL2 1691/4885ACACB 2691/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS LOX 2465/4885LOXL2 1691/4885ACACB 2691/4885

“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.