SCHEMBL14211480

SCHEMBL14211480

CC(CC(C)(C)C)c1noc(=O)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.34
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
RRM1 P23921 1/20 0.32
RRM2B Q7LG56 1/20 0.32
DDAH1 O94760 1/20 0.32
RARB P10826 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL24443104 0.79
SCHEMBL5645553 0.78 CTH (0.35) CTHDDAH1
SCHEMBL5643644 0.78 CTH (0.40) CTHDDAH1ALDH1A1
SCHEMBL24443097 0.78 CTH (0.36) CTHDDAH1ALDH1A1
SCHEMBL20651769 0.78 CTH (0.36) CTHCHRM2CHRM1RRM1RRM2B
SCHEMBL21769501 0.76 CTH (0.37) CTHDDAH1RARBALDH1A1
SCHEMBL16851584 0.74 CTH (0.33) CTHDDAH1
SCHEMBL16851540 0.74 CTH (0.33) CTHDDAH1
SCHEMBL16851652 0.74 CTH (0.33) CTHDDAH1
SCHEMBL16851679 0.74 CTH (0.33) CTHDDAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389036-A1 AGONISTS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPAR?) AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2022-12-08 US disclosed
US-9051265-B2 N-benzylindole modulators of PPARG THE SCRIPPS RESEARCH INSTITUTE (US) 2015-06-09 US disclosed
US-20120309769-A1 N-BENZYLINDOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE (US) 2012-12-06 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-20120309769-A1 N-BENZYLINDOLE MODULATORS OF PPARG PPARG, CDK5R1, CDK5 CTH 4406/4885CHRM2 2478/4885CHRM1 1762/4885
US-20220389036-A1 AGONISTS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPAR?) AND METHODS OF USE PPARG, PPARA, PPARD CTH 3709/4885CHRM2 2918/4885CHRM1 2876/4885

“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.