SCHEMBL5485555

SCHEMBL5485555

ClC1CCC[C]1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
HRH2 P25021 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP11B2 P19099 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
SCHEMBL18549967 0.94 ALDH1A1 (0.36) ALDH1A1ALOX15TSHRCHRNB4CHRNA3
SCHEMBL2543009 0.86 ALDH1A1 (0.36) ALDH1A1ALOX15TSHRCHRNB4CHRNA3
SCHEMBL28911580 0.76 HRH3 (0.46) ALDH1A1HRH2HRH3
SCHEMBL2013779 0.74 ALDH1A1 (0.33) ALDH1A1ALOX15TSHRCHRNB4CHRNA3
SCHEMBL4607832 0.74 ALDH1A1 (0.33) ALDH1A1ALOX15TSHRCHRNB4CHRNA3
SCHEMBL695560 0.74 ALDH1A1 (0.42) ALDH1A1TSHRCYP1A2
SCHEMBL15758247 0.72 IGF1R (0.46) ALDH1A1ALOX15
SCHEMBL16817775 0.71 MAPT (0.41) ALDH1A1ALOX15TSHR
SCHEMBL5534036 0.70 HRH2 (0.41) ALDH1A1CHRNB4CHRNA3HRH2HRH3
SCHEMBL7700085 0.70 CHRNB4 (0.41) ALDH1A1CHRNB4CHRNA3

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-20170056313-A1 NAIL COATINGS HAVING ENHANCED ADHESION CREATIVE NAIL DESIGN, INC. (US) 2017-03-02 US disclosed
EP-1794233-A1 POSS CONTAINING COSMETIC COMPOSITIONS HAVING IMPROVED WEAR AND/OR PLIABILITY AND METHODS OF MAKING IMPROVED COSMETIC COMPOSITIONS L'OREAL (FR) 2007-06-13 EP disclosed
WO-2006031781-A1 POSS CONTAINING COSMETIC COMPOSITIONS HAVING IMPROVED WEAR AND/OR PLIABILITY AND METHODS OF MAKING IMPROVED COSMETIC COMPOSITIONS L'OREAL (FR) 2006-03-23 WO 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-20170056313-A1 NAIL COATINGS HAVING ENHANCED ADHESION POLR1C, PIK3C3, NACA ALDH1A1 1567/4885ALOX15 2390/4885TSHR 4023/4885

“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.