SCHEMBL19852749

SCHEMBL19852749

CCC(CC)[C@H](C)OC(=O)[C@H](C)NC(=O)c1nccc(OC)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
HTT P42858 4/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 5/20 0.35
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MITF O75030 2/20 0.35
HSP90AA1 P07900 2/20 0.35
CTSA P10619 1/20 0.34
MAPK1 P28482 4/20 0.33
TP53 P04637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 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
SCHEMBL21581226 0.90 TDP1 (0.39) RAB9AMEN1KMT2AKDM4ETDP1
SCHEMBL30129515 0.89 TAS1R3 (0.37) RAB9ANPC1HTTTAS1R3TAS1R1
SCHEMBL25042352 0.89 TAS1R3 (0.37) RAB9ANPC1HTTTAS1R3TAS1R1
SCHEMBL23706479 0.89 TAS1R3 (0.37) RAB9ANPC1HTTTAS1R3TAS1R1
SCHEMBL23706478 0.89 TAS1R3 (0.37) RAB9ANPC1HTTTAS1R3TAS1R1
SCHEMBL20352980 0.88 TDP1 (0.38) RAB9ANPC1HTTMEN1KMT2A
SCHEMBL17904861 0.88 NPC1 (0.32) RAB9ANPC1HTTTAS1R3TAS1R1
SCHEMBL17901469 0.86 TDP1 (0.40) RAB9AMEN1KMT2AKDM4ETDP1
SCHEMBL17904850 0.86 TSHR (0.35) RAB9ANPC1HTTTAS1R3TAS1R1
SCHEMBL17904860 0.86 CNR2 (0.32) RAB9ANPC1HTTTAS1R3TAS1R1

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-20190359557-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2019-11-28 US disclosed
US-20180037541-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-02-08 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-20180037541-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CYP51A1, CYP1A2, FKBP14 RAB9A 4314/4885NPC1 1699/4885HTT 3724/4885
US-20190359557-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CYP51A1, CYP1A2, FKBP14 RAB9A 4314/4885NPC1 1699/4885HTT 3724/4885

“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.