SCHEMBL19725366

SCHEMBL19725366

COc1ccc(CO[C@@H](C)C(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
LDHA P00338 1/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
FFAR1 O14842 2/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 1/20 0.45
F2RL1 P55085 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
SLC6A4 P31645 1/20 0.44
ACACB O00763 1/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 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
SCHEMBL31234585 0.86 LDHA (0.59) HTTLDHAALDH1A1SMN1; SMN2NPC1
SCHEMBL8520688 0.86 LDHA (0.59) HTTLDHAALDH1A1SMN1; SMN2NPC1
SCHEMBL4005029 0.86 LDHA (0.59) HTTLDHAALDH1A1SMN1; SMN2NPC1
SCHEMBL19896817 0.85 HTT (0.49) HTTLDHAALDH1A1SMN1; SMN2NPC1
SCHEMBL4008583 0.85 HTT (0.53) HTTLDHAALDH1A1SMN1; SMN2NPC1
SCHEMBL15409086 0.85 HTT (0.53) HTTLDHAALDH1A1SMN1; SMN2NPC1
SCHEMBL7069557 0.82 LMNA (0.52) HTTLDHAALDH1A1SMN1; SMN2NPC1
SCHEMBL25407403 0.81 ALDH1A1 (0.55) HTTLDHAALDH1A1SMN1; SMN2NPC1
SCHEMBL357741 0.80 ALDH1A1 (0.55) HTTALDH1A1ATMMAPTMMP9
SCHEMBL1911343 0.80 ALDH1A1 (0.55) HTTALDH1A1ATMMAPTMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180000084-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC 2018-01-04 US disclosed
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 (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-20170360038-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 HTT 3579/4885LDHA 3924/4885ALDH1A1 1350/4885
US-20180000084-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CYP1A2, CYP51A1 HTT 3790/4885LDHA 3977/4885ALDH1A1 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.