SCHEMBL16954664

SCHEMBL16954664

CC(=O)Oc1c[c]cc(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ MAPT P10636 5/20 0.34
▸ POLB P06746 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ ACHE P22303 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TTR P02766 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ BACE1 P56817 1/20 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
SCHEMBL16955660 0.84 KDM4E (0.43) LMNACYP3A4MAPTPOLBPKM
SCHEMBL16959932 0.83 LMNA (0.53) LMNACYP3A4MAPTPOLBPKM
SCHEMBL1451651 0.82 LMNA (0.46) LMNACYP3A4MAPTPOLBPKM
SCHEMBL21268259 0.81 ELANE (0.46) MAPTSMN1; SMN2RAB9ANPC1HTT
SCHEMBL9203640 0.79 CYP3A4 (0.53) LMNACYP3A4MAPTPOLBPKM
SCHEMBL14488840 0.79 CYP3A4 (0.47) LMNACYP3A4MAPTPOLBPKM
SCHEMBL16957155 0.79 CYP3A4 (0.41) LMNACYP3A4MAPTPOLBPKM
SCHEMBL21268205 0.76 ELANE (0.51) LMNACYP3A4MAPTPOLBPKM
SCHEMBL16950659 0.76 BACE1 (0.43) LMNACYP3A4MAPTPOLBPKM
SCHEMBL4632591 0.75 CA1 (0.38) LMNAMAPTSMN1; SMN2ACHERAB9A

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 4 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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — 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 LMNA 2676/4885CYP3A4 96/4885MAPT 4724/4885

“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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