SCHEMBL17046306

SCHEMBL17046306

CCOc1c[c]c(C(=O)OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.45
CYP1A2 P05177 2/20 0.44
KMT2A Q03164 2/20 0.44
PLK1 P53350 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 2/20 0.43
PARP10 Q53GL7 1/20 0.42
NQO1 P15559 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7302208 0.82 CA1 (0.52) MAPTCYP1A2KMT2APLK1MEN1
SCHEMBL21268432 0.77 LOXL2 (0.42) MAPTALDH1A1GAAHPGDKMT2A
SCHEMBL204175 0.73 MAPT (0.75) MAPTALDH1A1GAAHPGDCYP1A2
SCHEMBL27417951 0.73 CA1 (0.50) ALDH1A1GAAHPGDCYP1A2POLB
SCHEMBL7489977 0.73 TDP1 (0.50) MAPTALDH1A1HPGDKMT2APOLB
SCHEMBL3062615 0.73 CA1 (0.50) MAPTALDH1A1GAAHPGDKMT2A
SCHEMBL1205805 0.72 NPC1 (0.42) MAPTALDH1A1HPGDCYP1A2KMT2A
SCHEMBL1196135 0.72 ABL1 (0.43) MAPTALDH1A1GAAHPGDPOLB
SCHEMBL7594913 0.72 TSHR (0.36) MAPTALDH1A1CYP1A2KMT2APOLB
SCHEMBL28166435 0.72 GAA (0.44) MAPTALDH1A1GAAHPGDCYP1A2

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 MAPT 4724/4885ALDH1A1 1019/4885GAA 1006/4885

“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.