SCHEMBL4125864

SCHEMBL4125864

COc1c(Cl)cc(O)cc1C(=O)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
MELK Q14680 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
CPS1 P31327 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MGLL Q99685 1/20 0.36
DRD2 P14416 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL4132557 0.93 TAS1R3 (0.41) TPMTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL4119971 0.78 ALDH1A1 (0.49) TPMTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL4121777 0.78 ALDH1A1 (0.41) MELKALDH1A1TSHRNPSR1MGLL
SCHEMBL24516637 0.77 GALK1 (0.50) TPMTALDH1A1KDM4EGAANPC1
SCHEMBL14435146 0.75 ALDH1A1 (0.36) MELKALDH1A1TSHRNPSR1MGLL
SCHEMBL4132595 0.74 TPMT (0.42) TPMTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL4132408 0.74 HTT (0.37) TAS1R3TAS1R1TAS1R2MELKALDH1A1
SCHEMBL8720641 0.73 TDP1 (0.56) TPMTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL28770764 0.72 HTR2A (0.40) TPMTMELKCPS1NPC1RAB9A
SCHEMBL4129952 0.72 NPC1 (0.43) TAS1R3TAS1R1TAS1R2MELKALDH1A1

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 TPMT 4493/4885TAS1R3 2162/4885TAS1R1 1470/4885

“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.