SCHEMBL17898735

SCHEMBL17898735

C[C@H](OCc1ccccc1)[C@H](OCC1CC1)[C@H](CCO)Cc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
GPR34 Q9UPC5 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
TRPA1 O75762 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
RCE1 Q9Y256 1/20 0.34

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
SCHEMBL21985739 0.84 PPARG (0.41) GPR34PPARGPPARATRPA1RCE1
SCHEMBL17896162 0.84 PPARG (0.41) GPR34PPARGPPARATRPA1RCE1
SCHEMBL17898733 0.78 RCE1 (0.40) SLC6A2SLC6A4SLC6A3TRPA1SIGMAR1
SCHEMBL19039692 0.75 CACNA1B (0.40) PPARGPPARA
SCHEMBL17896224 0.73 PPARG (0.44) SLC6A4PPARGPPARASIGMAR1RCE1
SCHEMBL17896225 0.72 PPARG (0.38) SLC6A4SLC6A3GPR34PPARGPPARA
SCHEMBL19760187 0.71 TRPA1 (0.44) SLC6A4PPARGPPARATRPA1
SCHEMBL19758129 0.71 TRPA1 (0.44) SLC6A4PPARGPPARATRPA1
SCHEMBL16594144 0.71 TAS2R14 (0.36) SLC6A4PPARGPPARA
SCHEMBL17904939 0.70 PPARA (0.39) SLC6A4GPR34PPARGPPARATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180002319-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2018-01-04 US disclosed
US-20180002320-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-01-04 US disclosed
WO-2016109291-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109290-A1 MACROCYCLIC 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 (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-20180002320-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, CYP4F2 SLC6A2 3110/4885SLC6A4 2301/4885SLC6A3 2621/4885
US-20180002319-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY AADAC, CYP51A1, PFAS SLC6A2 4015/4885SLC6A4 3189/4885SLC6A3 3954/4885

“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.