SCHEMBL25895229

SCHEMBL25895229

CC(C)C1CCC(C(=O)N(C)C(C)C)C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
ALOX5 P09917 1/20 0.32
HSD11B1 P28845 1/20 0.31
FASN P49327 1/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10270142 0.89 ROCK2 (0.38) ROCK2ROCK1ALOX5HSD11B1LMNA
SCHEMBL25895252 0.86
SCHEMBL12375166 0.82 HSD11B1 (0.37) ALOX5HSD11B1
SCHEMBL25912533 0.79 BCHE (0.38) ROCK2ROCK1ALOX5FASNLMNA
SCHEMBL16727377 0.75 HSD11B1 (0.34) HSD11B1
SCHEMBL15199107 0.75 HSD11B1 (0.34) HSD11B1
SCHEMBL20622499 0.74 MME (0.40) FASN
SCHEMBL10885253 0.74 ROCK2 (0.38) ROCK2ROCK1ALOX5LMNATDP1
SCHEMBL14436548 0.74 ACE (0.39) ROCK2ROCK1ALOX5LMNATDP1
SCHEMBL824158 0.74 ACE (0.39) ROCK2ROCK1ALOX5LMNATDP1

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-11739074-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-08-29 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 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-11739074-B2 Ras inhibitors KRAS, NRAS, HRAS ROCK2 455/4885ROCK1 239/4885ALOX5 4598/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR ROCK2 660/4885ROCK1 567/4885ALOX5 3385/4885

“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.