SCHEMBL17905083

SCHEMBL17905083

C=C[C@H](Cc1ccc(F)cc1)[C@@H](O)[C@H](C)OCCCC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
FAAH O00519 2/20 0.35
ACACB O00763 1/20 0.34
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 0.33
PPARG P37231 2/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HTR7 P34969 1/20 0.33
HPGD P15428 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TLR2 O60603 1/20 0.32

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
SCHEMBL17905077 0.87 CSNK1E (0.41) TRPA1PPARAPPARGMAOA
SCHEMBL19633411 0.83 TRPA1 (0.41) TRPA1LMNAKMT2AFAAHACACB
SCHEMBL19633479 0.82 FAAH (0.36) TRPA1LMNAKMT2AFAAHACACB
SCHEMBL17760943 0.80 RCE1 (0.41) TRPA1PPARAPPARG
SCHEMBL17904938 0.79 PPARA (0.38) FAAHPPARDPPARAPPARG
SCHEMBL19628384 0.78 TRPA1 (0.50) TRPA1MAOAMAOBHPGD
SCHEMBL19633477 0.78 LMNA (0.43) LMNAKMT2AFAAHACACBPPARD
SCHEMBL19633586 0.76 LMNA (0.39) TRPA1LMNAKMT2AFAAHACACB
SCHEMBL19633482 0.72 LMNA (0.40) TRPA1LMNAKMT2AFAAHACACB
SCHEMBL17760962 0.70 RCE1 (0.46) TRPA1LMNAKMT2AMAOAHPGD

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-20170334934-A1 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-11-23 US disclosed
WO-2016109289-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109288-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 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-20170334934-A1 Macrocyclic picolinamides as fungicides CYP4F12, CYP1A2, FKBP2 TRPA1 676/4885LMNA 4285/4885KMT2A 3234/4885

“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.