SCHEMBL4129952

SCHEMBL4129952

COc1cc(Cl)c(O)c(C(=O)C2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
TYK2 P29597 1/20 0.43
CPS1 P31327 1/20 0.39
MELK Q14680 7/20 0.39
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
MGLL Q99685 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
P2RX7 Q99572 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL4122535 0.80 MELK (0.35) MELK
SCHEMBL13696933 0.79 AKR1C2 (0.41) NPC1RAB9AMELKKDM4EALDH1A1
SCHEMBL30169768 0.78 CYP3A4 (0.49) NPC1RAB9ATYK2KDM4EMAPT
SCHEMBL4623711 0.78 CYP3A4 (0.49) NPC1RAB9ATYK2KDM4EMAPT
SCHEMBL424526 0.78 AKR1C4 (0.58) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL4121777 0.78 ALDH1A1 (0.41) TYK2MELKMGLLALDH1A1HPGD
SCHEMBL15904569 0.78 TYK2 (0.45) NPC1RAB9ATYK2KDM4EMAPT
SCHEMBL31421665 0.78 TYK2 (0.45) NPC1RAB9ATYK2KDM4EMAPT
SCHEMBL6410362 0.77 GAA (0.49) NPC1KDM4EMAPTALDH1A1HPGD
SCHEMBL15903998 0.75 TYK2 (0.45) NPC1RAB9ATYK2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221596-A1 Substtituted aryl oximes BAYER CROPSCIENCE AG (DE) 2009-09-03 US disclosed
US-20090221596-A1 Substtituted aryl oximes BAYER CROPSCIENCE AG (DE) 2009-09-03 US disclosed
US-20090221596-A1 Substtituted aryl oximes BAYER CROPSCIENCE AG (DE) 2009-09-03 US disclosed
EP-1883622-A1 SUBSTITUTED ARYL OXIMES Bayer CropScience Aktiengesellschaft (DE) 2008-02-06 EP disclosed
WO-2007090434-A1 SUBSTITUTED ARYL OXIMES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-08-16 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 (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-20090221596-A1 Substtituted aryl oximes CYP1A1, PRDX1, CYP1A2 NPC1 3841/4885RAB9A 2004/4885TAS1R3 2162/4885

“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.