SCHEMBL17046336

SCHEMBL17046336

CCCOc1[c]cc(C#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.37
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LTA4H P09960 1/20 0.33
SCN8A Q9UQD0 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOB P27338 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
RAB9A P51151 1/20 0.31

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
SCHEMBL21268418 0.92 ALDH1A1 (0.43) CYP2A6ALDH1A1HPGDKDM4EHTT
SCHEMBL1273724 0.86 TRPV4 (0.40) CYP2A6ALDH1A1HPGDKDM4EHTT
SCHEMBL21268422 0.85 ALDH1A1 (0.37) CYP2A6ALDH1A1MAPTHRH2HRH1
SCHEMBL4070480 0.77 LTA4H (0.34) ALDH1A1KDM4EHTTL3MBTL1MAPT
SCHEMBL17460050 0.76 GSTP1 (0.33) HSD17B10MAOBCA12CA1CA2
SCHEMBL161103 0.76 CYP2A6 (0.38) CYP2A6ALDH1A1TSHRMAOBLOXL2
SCHEMBL21268364 0.75 KIF11 (0.37) ALDH1A1KDM4EL3MBTL1MAPTHSD17B10
SCHEMBL17460019 0.75 CA12 (0.33) ALDH1A1MAOBCA12CA1CA2
SCHEMBL1404319 0.74 LTA4H (0.44) ALDH1A1HPGDHTTL3MBTL1MAPT
SCHEMBL8782085 0.74 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 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 (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-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX CYP2A6 32/4885ALDH1A1 1019/4885HPGD 1114/4885

“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.