SCHEMBL4122910

SCHEMBL4122910

O=C(c1cc(O)ccc1O)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
PTGS2 P35354 3/20 0.50
ALOX5 P09917 2/20 0.50
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ACMSD Q8TDX5 2/20 0.46
CNR2 P34972 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
CNR1 P21554 1/20 0.43
ESR1 P03372 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42

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
SCHEMBL4115726 0.91 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL4610231 0.86 CES2 (0.52) CA12CA1CA2CA7CA9
SCHEMBL12231514 0.84 CES2 (0.53) CA12CA1CA2CA7CA9
SCHEMBL9823872 0.83 ALDH1A1 (0.53) CA1CA2ALDH1A1NPSR1ACMSD
SCHEMBL4115692 0.82 KDM2B (0.47) ALDH1A1MEN1MAPTKMT2APOLB
SCHEMBL12231362 0.80 CES2 (0.53) CA12CA1CA2CA7CA9
SCHEMBL1941494 0.79 ESR1 (0.46) ALDH1A1TSHRNPSR1CNR2MEN1
SCHEMBL11346824 0.79 CYP1A2 (0.49) ALDH1A1ACMSDCNR2MEN1MAPT
SCHEMBL6271344 0.79 ACMSD (0.58) ALOX5ACMSD
SCHEMBL5989722 0.79 SMN1; SMN2 (0.46) ACMSDPOLB

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 CA12 3539/4885CA1 3175/4885CA2 2343/4885

“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.