SCHEMBL17896176

SCHEMBL17896176

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK1 P28482 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 1/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL17896175 1.00 KMT2A (0.51) KMT2AGAAALDH1A1MEN1LMNA
SCHEMBL23647604 0.84 KLK7 (0.46) KMT2AGAAMEN1LMNACYP1A2
SCHEMBL18331155 0.84 GLA (0.45) KMT2AALDH1A1MEN1MAPK1MTNR1A
SCHEMBL18330989 0.84 LDHA (0.50) KMT2AGAAALDH1A1MEN1LMNA
SCHEMBL14122416 0.83 LMNA (0.49) KMT2AGAAALDH1A1LMNATP53
SCHEMBL14121767 0.83 LMNA (0.49) KMT2AGAAALDH1A1LMNATP53
SCHEMBL14121763 0.83 LMNA (0.49) KMT2AGAAALDH1A1LMNATP53
SCHEMBL30300697 0.83 LMNA (0.49) KMT2AGAAALDH1A1LMNATP53
SCHEMBL30300653 0.83 LMNA (0.49) KMT2AGAAALDH1A1LMNATP53
SCHEMBL13070034 0.83 CYP3A4 (0.49) ALDH1A1MTNR1AMTNR1BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240413-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-13 EP disclosed
EP-3240413-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-13 EP disclosed
US-10433555-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-10-08 US disclosed
US-10433555-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-10-08 US disclosed
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 US disclosed
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 US disclosed
US-20180000075-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 US disclosed
US-20180000075-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 US disclosed
EP-3240412-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 EP disclosed
EP-3240413-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 EP 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
WO-2016109288-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109289-A1 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 (3 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-20180000075-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 KMT2A 3102/4885GAA 837/4885ALDH1A1 1350/4885
US-10433555-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 KMT2A 3102/4885GAA 837/4885ALDH1A1 1350/4885
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CYP1A2, CYP51A1 KMT2A 3265/4885GAA 765/4885ALDH1A1 885/4885

“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.