SCHEMBL17898658

SCHEMBL17898658

CCOC(COC[C@H](Cc1ccccc1)[C@@H](OCC(C)C)[C@H](C)O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
TRPA1 O75762 2/20 0.37
MMP1 P03956 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
KMT2A Q03164 2/20 0.33
PPARD Q03181 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
SLC6A2 P23975 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32
MAOA P21397 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP2A6 P11509 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MAPT P10636 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
SCHEMBL17896249 0.82 TRPA1 (0.47) KDM4ETRPA1NPC1RAB9ASIGMAR1
SCHEMBL17892985 0.80 KDM4E (0.39) KDM4ETRPA1NPC1RAB9APPARG
SCHEMBL17893040 0.79 TRPA1 (0.46) KDM4ETRPA1NPC1RAB9ASIGMAR1
SCHEMBL17893041 0.79 TRPA1 (0.46) KDM4ETRPA1NPC1RAB9ASIGMAR1
SCHEMBL17899002 0.79 TRPA1 (0.46) KDM4ETRPA1NPC1RAB9ASIGMAR1
SCHEMBL17893042 0.79 TRPA1 (0.46) KDM4ETRPA1NPC1RAB9ASIGMAR1
SCHEMBL873066 0.70 SIGMAR1 (0.50) TRPA1KMT2ASIGMAR1SLC6A2TAAR1
SCHEMBL113325 0.70 TAAR1 (0.48) TRPA1PPARGPPARAPPARDSIGMAR1
SCHEMBL1087301 0.69 TSHR (0.52) TSHRKMT2AMAPT
SCHEMBL8734438 0.69 TSHR (0.46) TRPA1TSHRSIGMAR1SLC6A2TAAR1

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-20180002320-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES 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
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 2828/4885TRPA1 716/4885MMP1 3965/4885
US-20180002319-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY AADAC, CYP51A1, PFAS KDM4E 2256/4885TRPA1 275/4885MMP1 2926/4885

“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.