SCHEMBL14901113

SCHEMBL14901113

C[C@@H](CCl)COC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL6445572 1.00 MAPK1 (0.50) MAPK1ALDH1A1TSHR
SCHEMBL14901114 1.00 MAPK1 (0.50) MAPK1ALDH1A1TSHR
SCHEMBL12858723 0.83 MAPK1 (0.60) MAPK1ALDH1A1
SCHEMBL18974241 0.80 MAPK1 (0.46) MAPK1
SCHEMBL6446870 0.78 ALDH1A1 (0.35) MAPK1ALDH1A1TSHR
SCHEMBL14901099 0.76 MAPK1 (0.52) MAPK1
SCHEMBL12285564 0.76 MAPK1 (0.52) MAPK1
SCHEMBL14901100 0.76 MAPK1 (0.52) MAPK1
SCHEMBL4181754 0.74 MAPK1 (0.56) MAPK1TSHR
SCHEMBL4189322 0.74 MAPK1 (0.56) MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109758-A1 BISPHENOL DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-02 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-20130109758-A1 BISPHENOL DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE SHBG, KLK3, HSD17B11 MAPK1 3831/4885ALDH1A1 179/4885TSHR 2717/4885

“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.