SCHEMBL19726533

SCHEMBL19726533

CC(C)C(=O)O[C@H](C)[C@H](C)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL17901061 0.89 MTNR1A (0.41) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL17905431 0.89 MTNR1A (0.41) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL17900984 0.89 MTNR1A (0.41) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL159901 0.83 ELANE (0.46) ELANEMTNR1AMTNR1BGAACYP1A2
SCHEMBL9495034 0.81 POLB (0.44) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL1453272 0.79 CA4 (0.48) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL19726592 0.79 MAPT (0.45) ELANEMTNR1AMTNR1BGAACYP1A2
SCHEMBL21976920 0.79 MTNR1A (0.45) ELANEMTNR1AMTNR1BGAACYP1A2
SCHEMBL21985609 0.77 RAB9A (0.40) ELANECYP1A2KMT2AMEN1ALDH1A1
SCHEMBL16098054 0.76 ELANE (0.44) ELANEMTNR1AMTNR1BGAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360038-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2017-12-21 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 (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-20170360038-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 ELANE 2151/4885MTNR1A 2292/4885MTNR1B 2457/4885

“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.