SCHEMBL4121777

SCHEMBL4121777

O=C(c1cc(O)cc(Cl)c1O)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AKR1C2 P52895 2/20 0.40
AKR1C1 Q04828 2/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
MGLL Q99685 5/20 0.40
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MELK Q14680 5/20 0.36
TYK2 P29597 1/20 0.36
TTR P02766 1/20 0.35

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
SCHEMBL4122359 0.91 CNR2 (0.44) ALDH1A1TSHRNPSR1AKR1C2AKR1C1
SCHEMBL424526 0.85 AKR1C4 (0.58) ALDH1A1TSHRAKR1C2AKR1C1AKR1C4
SCHEMBL13696933 0.82 AKR1C2 (0.41) ALDH1A1TSHRNPSR1AKR1C2AKR1C1
SCHEMBL14435146 0.78 ALDH1A1 (0.36) ALDH1A1TSHRNPSR1MGLLCYP3A4
SCHEMBL4129952 0.78 NPC1 (0.43) ALDH1A1MGLLHPGDHSD17B10MELK
SCHEMBL4125864 0.78 TPMT (0.41) ALDH1A1TSHRNPSR1MGLLCYP3A4
SCHEMBL13696934 0.75 NPC1 (0.43) TSHRNPSR1AKR1C2AKR1C1CYP2D6
SCHEMBL29394521 0.74 AKR1C2 (0.69) ALDH1A1TSHRAKR1C2AKR1C1AKR1C4
SCHEMBL4625424 0.74 AKR1C2 (0.69) ALDH1A1TSHRAKR1C2AKR1C1AKR1C4
SCHEMBL4127393 0.72 AKR1C2 (0.45) ALDH1A1TSHRAKR1C2AKR1C1AKR1C4

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 6 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
CN-101193855-A Substituted aryl oximes BAYER CROPSCIENCE AG (DE) 2008-06-04 CN 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 ALDH1A1 319/4885TSHR 285/4885NPSR1 660/4885

“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.