SCHEMBL6624140

SCHEMBL6624140

CCc1nc(-c2ccc(O)c(C)c2)no1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.50
ACACA Q13085 2/20 0.50
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
S1PR1 P21453 3/20 0.43
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
AR P10275 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
S1PR3 Q99500 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
SCHEMBL16202099 0.86 S1PR1 (0.55) ACACBACACAS1PR1APOBEC3AAPOBEC3G
SCHEMBL27298543 0.84 ERCC1 (0.51) ACACBACACAERCC1ERCC4ESR1
SCHEMBL8415707 0.82 FFAR1 (0.53) ACACBACACAS1PR1APOBEC3AAPOBEC3G
SCHEMBL12947695 0.81 L3MBTL1 (0.61) S1PR1ESR1ESR2NPC1RAB9A
SCHEMBL6112858 0.79 ACACB (0.59) ACACBACACAMAPTNPC1RAB9A
SCHEMBL7448852 0.77 ACACB (0.58) ACACBACACAS1PR1APOBEC3AAPOBEC3G
SCHEMBL10053485 0.77 SMN1; SMN2 (0.63) ACACBACACAMAPTNPC1RAB9A
SCHEMBL31591599 0.75 HTT (0.71) S1PR1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL12866 0.75 RAB9A (0.69) S1PR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19042602 0.75 HDAC4 (0.53)

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
US-20040157740-A1 Heterocyclyl phenyl benzyl ethers used as fungicides BAYER CROPSCIENCE AG (DE) 2004-08-12 US disclosed
EP-1389191-A1 HETEROCYCLYL PHENYL BENZYL ETHERS USED AS FUNGICIDES Bayer CropScience AG (DE) 2004-02-18 EP disclosed
WO-2002092581-A1 HETEROCYCLYL PHENYL BENZYL ETHERS USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2002-11-21 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-20040157740-A1 Heterocyclyl phenyl benzyl ethers used as fungicides DDT, CYP4X1, PAH ACACB 2969/4885ACACA 4028/4885ERCC1 2971/4885

“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.