SCHEMBL17046334

SCHEMBL17046334

CCCOc1c[c]cc(C(=O)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ KMT2A Q03164 1/20 0.46
▸ RAB9A P51151 2/20 0.44
▸ PLK1 P53350 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PLA2G2A P14555 2/20 0.41
▸ NR1H4 Q96RI1 1/20 0.40
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38

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
SCHEMBL17046327 0.92 MAPT (0.51) MAPTRAB9AL3MBTL1TDP1PLA2G2A
SCHEMBL17046253 0.87 MAPT (0.43) MAPTKMT2ARAB9APLK1L3MBTL1
SCHEMBL21268388 0.86 MAPT (0.47) MAPTRAB9AL3MBTL1TDP1LMNA
SCHEMBL25659599 0.83 MAPT (0.55) MAPTKMT2ARAB9APLK1L3MBTL1
SCHEMBL19999965 0.83 MAPT (0.55) MAPTKMT2ARAB9APLK1L3MBTL1
SCHEMBL17046380 0.82 KMT2A (0.47) MAPTKMT2APLK1L3MBTL1PLA2G2A
SCHEMBL4284172 0.81 CA1 (0.52) MAPTKMT2ARAB9AL3MBTL1TDP1
SCHEMBL17046354 0.79 XDH (0.46) MAPTRAB9AL3MBTL1NR1H4LMNA
SCHEMBL17414599 0.79 MAPT (0.50) MAPTKMT2ARAB9APLK1L3MBTL1
SCHEMBL300172 0.78 CA1 (0.52) MAPTKMT2AL3MBTL1TDP1LMNA

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 2 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

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 4724/4885KMT2A 2596/4885RAB9A 4465/4885

“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.

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