SCHEMBL3229801

SCHEMBL3229801

CCC(C)(C)C=CC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
FGFR4 P22455 1/20 0.33

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
SCHEMBL10701256 0.82 LMNA (0.39) ALDH1A1TSHRFGFR4
SCHEMBL15711296 0.81 ALDH1A1 (0.33) ALDH1A1TSHRFGFR4
SCHEMBL18043219 0.81 ALDH1A1 (0.33) ALDH1A1TSHRFGFR4
SCHEMBL1881985 0.79 ALDH1A1 (0.32) ALDH1A1TSHRFGFR4
SCHEMBL4373237 0.78 TSHR (0.38) TSHR
SCHEMBL9703841 0.78 ALDH1A1 (0.35) ALDH1A1TSHRFGFR4
SCHEMBL10591801 0.77 ALDH1A1 (0.31) ALDH1A1TSHRFGFR4
SCHEMBL3432787 0.77 ALDH1A1 (0.31) ALDH1A1TSHRFGFR4
SCHEMBL21052142 0.77 ALDH1A1 (0.31) ALDH1A1TSHRFGFR4
SCHEMBL887078 0.77 ALDH1A1 (0.31) ALDH1A1TSHRFGFR4

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-8303943-B2 Ampholytic copolymer based on quaternized nitrogen-containing monomers BASF SE (DE) 2012-11-06 US disclosed
US-20100068156-A1 AMPHOLYTIC COPOLYMER BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS BASF SE (DE) 2010-03-18 US disclosed
EP-2064253-B1 AMPHOLYTIC COPOLYMER BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS BASF SE (DE) 2009-11-18 EP 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-20100068156-A1 AMPHOLYTIC COPOLYMER BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS NGLY1, NAAA, NIT2 ALDH1A1 4386/4885TSHR 4283/4885FGFR4 3692/4885

“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.