SCHEMBL6553336

SCHEMBL6553336

CCOc1c[c]ccc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.38
TRPV4 Q9HBA0 1/20 0.36
HSD17B10 Q99714 4/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 2/20 0.35
BRCA1 P38398 2/20 0.35
KMT2A Q03164 2/20 0.35
HBB P68871 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
PRNP P04156 1/20 0.34
HPGD P15428 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 2/20 0.33

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
SCHEMBL2536552 0.85 AR (0.38) ARTRPV4HSD17B10LMNAMEN1
SCHEMBL8888822 0.81 FFAR1 (0.31)
SCHEMBL233007 0.79 ALDH1A1 (0.44) ARALDH1A1KDM4EUSP2GAA
SCHEMBL127280 0.78 ALDH1A1 (0.39) HSD17B10MEN1MAPTALOX15KMT2A
SCHEMBL10458094 0.76 ALDH1A1 (0.38) HSD17B10LMNAMEN1MAPTKMT2A
SCHEMBL27923358 0.76 MAOB (0.50) LMNAMAPTALDH1A1MAPK1XDH
SCHEMBL8126981 0.75 KCNH2 (0.40) HSD17B10MAPTALOX15ALDH1A1KDM4E
SCHEMBL5451 0.75 SMN1; SMN2 (0.51) ARHSD17B10LMNAMEN1MAPT
SCHEMBL30283197 0.75 SMN1; SMN2 (0.51) ARHSD17B10LMNAMEN1MAPT
Hydrochloric Acid SCHEMBL27764098 0.73 NPC1 (0.50) ARHSD17B10LMNAMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0851857-B1 INHIBITORS OF TUMOR NECROSIS FACTOR ALPHA CELGENE CORP (US) 2004-02-18 EP claimed
EP-0957091-B1 Inhibitors of tumor necrosis factor alpha CELGENE CORP (US) 2003-06-04 EP claimed
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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-0851857-B1 INHIBITORS OF TUMOR NECROSIS FACTOR ALPHA CELGENE CORP (US) 2004-02-18 EP disclosed
EP-1367051-A2 Inhibitors of tumor necrosis factor alpha CELGENE CORPORATION (US) 2003-12-03 EP disclosed
EP-0957091-B1 Inhibitors of tumor necrosis factor alpha CELGENE CORP (US) 2003-06-04 EP disclosed
EP-0957091-A1 Inhibitors of tumor necrosis factor alpha CELGENE CORPORATION (US) 1999-11-17 EP 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 AR 4187/4885TRPV4 2766/4885HSD17B10 708/4885

“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.