SCHEMBL12486264

SCHEMBL12486264

COc1cc[c]cc1OCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
USP2 O75604 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
THRB P10828 1/20 0.38
G6PD P11413 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
S1PR1 P21453 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP17A1 P05093 1/20 0.33
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL12484320 0.93 ALDH1A1 (0.38) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL11022484 0.85 L3MBTL1 (0.37) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL17316805 0.82 ALDH1A1 (0.40) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL17316281 0.82 ALDH1A1 (0.40) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL161326 0.79 ALDH1A1 (0.40) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL21268215 0.79 ALDH1A1 (0.40) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL159681 0.79 ALDH1A1 (0.40) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL17046294 0.79 ALDH1A1 (0.40) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL27642917 0.79 ALDH1A1 (0.40) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL159256 0.78 KDM4E (0.42) MAPTALDH1A1KDM4ECA12CA1

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-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
WO-2012114252-A1 NOVEL INDOLE AND PYRROLOPYRIDINE AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-08-30 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-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX MAPT 4724/4885ALDH1A1 1019/4885KDM4E 2719/4885

“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.