SCHEMBL16954751

SCHEMBL16954751

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ CYP19A1 P11511 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ ACHE P22303 3/20 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
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ELANE P08246 2/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ADRA2A P08913 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
SCHEMBL1451651 0.82 LMNA (0.46) LMNACYP3A4CYP19A1MAPTPOLB
SCHEMBL21268181 0.79 ELANE (0.44) MAPTELANE
SCHEMBL11421086 0.79 LMNA (0.43) LMNACYP3A4CYP19A1MAPTPOLB
SCHEMBL16955344 0.79 LMNA (0.41) LMNACYP3A4CYP19A1MAPTPOLB
SCHEMBL9203640 0.76 CYP3A4 (0.53) LMNACYP3A4CYP19A1MAPTPOLB
SCHEMBL16959932 0.76 LMNA (0.53) LMNACYP3A4MAPTPOLBPKM
SCHEMBL16950659 0.76 BACE1 (0.43) LMNACYP3A4CYP19A1MAPTPOLB
SCHEMBL16958408 0.75 ALDH1A1 (0.36) MEN1KMT2ASMN1; SMN2ABCB11TSHR
SCHEMBL16960083 0.75 CYP4F2 (0.41) LMNACYP3A4CYP19A1MAPTPOLB
SCHEMBL16956276 0.74 LMNA (0.39) LMNACYP3A4CYP19A1MAPTPOLB

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 96/4885CYP19A1 308/4885

“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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