SCHEMBL13316322

SCHEMBL13316322

Cc1cc(C)c(OCC2CCCN2C(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.49
▸ FEN1 P39748 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ATM Q13315 2/20 0.41
▸ F2RL3 Q96RI0 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL13166434 1.00 ALOX5AP (0.49) ALOX5APFEN1LMNANPSR1ATM
SCHEMBL13316326 1.00 ALOX5AP (0.49) ALOX5APFEN1LMNANPSR1ATM
SCHEMBL1429352 0.82 ALDH1A1 (0.51) ALOX5APFEN1LMNANPSR1F2RL3
SCHEMBL1429354 0.82 ALDH1A1 (0.51) ALOX5APFEN1LMNANPSR1F2RL3
SCHEMBL14045135 0.82 GPR119 (0.49) ALOX5APFEN1LMNANPSR1GPR119
SCHEMBL6535537 0.82 GPR119 (0.49) ALOX5APFEN1LMNANPSR1GPR119
SCHEMBL25594931 0.82 ALOX5AP (0.47) ALOX5APFEN1LMNANPSR1F2RL3
SCHEMBL25594925 0.82 ALOX5AP (0.47) ALOX5APFEN1LMNANPSR1F2RL3
SCHEMBL4316198 0.80 FFAR1 (0.49) ALOX5APFEN1LMNANPSR1GPR119
SCHEMBL4313801 0.80 FFAR1 (0.49) ALOX5APFEN1LMNANPSR1GPR119

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-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-06-10 — — US disclosed
US-7649011-B2 Active against cancer proliferation, growth, and metastasis; such as 3,4,5-trimethoxy-n-(2-methyl-3-phenyl-allyl)-n-[2-(1-methyl-pyrrolidin-2-yl)-thyl]-benzamide; side effect reduction CHEMOCENTRYX, INC. (US) 2010-01-19 — — 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 (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-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CCL2, CCR2, CXCR2 ALOX5AP 3010/4885FEN1 2513/4885LMNA 4709/4885

“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.

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