SCHEMBL16216342

SCHEMBL16216342

Cc1ccc([C@@H](O)C(C)C)cc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.69
PTGS1 P23219 1/20 0.69
CACNA1C Q13936 1/20 0.69
TDP1 Q9NUW8 7/20 0.52
KDM4E B2RXH2 6/20 0.52
RECQL P46063 5/20 0.52
MAPT P10636 5/20 0.52
TSHR P16473 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
HIF1A Q16665 2/20 0.52
HSD17B10 Q99714 2/20 0.52
APEX1 P27695 2/20 0.52
MTOR P42345 2/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52
POLB P06746 1/20 0.52
BLM P54132 1/20 0.52
CASP1 P29466 1/20 0.45

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
SCHEMBL16736818 0.83 TRPA1 (0.69) TRPA1PTGS1CACNA1CTDP1KDM4E
SCHEMBL17424101 0.83 TRPA1 (0.69) TRPA1PTGS1CACNA1CTDP1KDM4E
SCHEMBL20869199 0.82 TRPA1 (0.68) TRPA1PTGS1CACNA1CTDP1KDM4E
Carvacrol SCHEMBL24734 0.82 PTGS1 (1.00) TRPA1PTGS1CACNA1CTDP1KDM4E
Carvacrol SCHEMBL5326397 0.82 PTGS1 (1.00) TRPA1PTGS1CACNA1CTDP1KDM4E
Carvacrol SCHEMBL29544247 0.82 PTGS1 (1.00) TRPA1PTGS1CACNA1CTDP1KDM4E
SCHEMBL921036 0.82 TRPA1 (0.75) TRPA1PTGS1CACNA1CTDP1KDM4E
Carvacrol SCHEMBL7075922 0.80 PTGS1 (0.95) TRPA1PTGS1CACNA1CTDP1KDM4E
Carvacrol SCHEMBL5031273 0.80 PTGS1 (0.95) TRPA1PTGS1CACNA1CTDP1KDM4E
Carvacrol SCHEMBL1668461 0.80 PTGS1 (0.95) TRPA1PTGS1CACNA1CTDP1KDM4E

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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-21 US disclosed
US-9550000-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-01-24 US disclosed
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2014-11-06 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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 TRPA1 2141/4885PTGS1 2593/4885CACNA1C 2924/4885
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 TRPA1 2141/4885PTGS1 2593/4885CACNA1C 2924/4885

“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.