SCHEMBL17892985

SCHEMBL17892985

CC(C)CO[C@H]([C@H](COCC=O)Cc1ccccc1)[C@H](C)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TRPA1 O75762 2/20 0.34
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PSMB5 P28074 1/20 0.33
HTT P42858 1/20 0.33
CTSB P07858 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MIF P14174 1/20 0.33
CTRB1 P17538 2/20 0.33
LMNA P02545 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
SCHEMBL17898658 0.80 KDM4E (0.39) KDM4EMEN1KMT2ATAAR1TRPA1
SCHEMBL17899002 0.79 TRPA1 (0.46) KDM4ETAAR1TRPA1HPGDNPC1
SCHEMBL17893042 0.79 TRPA1 (0.46) KDM4ETAAR1TRPA1HPGDNPC1
SCHEMBL17893040 0.79 TRPA1 (0.46) KDM4ETAAR1TRPA1HPGDNPC1
SCHEMBL17893041 0.79 TRPA1 (0.46) KDM4ETAAR1TRPA1HPGDNPC1
SCHEMBL17896249 0.79 TRPA1 (0.47) KDM4ETAAR1TRPA1HPGDNPC1
SCHEMBL5040795 0.69 TAAR1 (0.50) MEN1KMT2ATAAR1TRPA1NPC1
SCHEMBL17636071 0.69 TAAR1 (0.44) MEN1KMT2ATAAR1TRPA1NPC1
Bicarbonate SCHEMBL28233769 0.68 NPC1 (0.49) KDM4ETAAR1TRPA1HPGDNPC1
SCHEMBL19628392 0.67 MAPT (0.39) MEN1KMT2ATAAR1HTTCTSB

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 10 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-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
US-20180002320-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-01-04 US disclosed
EP-3240418-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES Dow Agrosciences LLC (US) 2017-11-08 EP disclosed
EP-3240417-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 EP disclosed
WO-2016109290-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO 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
WO-2016109291-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES 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 KDM4E 2828/4885MEN1 1374/4885KMT2A 3243/4885
US-20180002319-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY AADAC, CYP51A1, PFAS KDM4E 2256/4885MEN1 1117/4885KMT2A 2813/4885

“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.