SCHEMBL10238239

SCHEMBL10238239

CC(=O)OC1=C(c2nc(-c3ccc(Cl)cc3)ncc2C)C(=O)[C@@H]2C[C@H]1C2(C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ CYP1A2 P05177 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ FOS P01100 1/20 0.31
▸ JUN P05412 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ NPC1 O15118 2/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ TACR3 P29371 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ PKM P14618 1/20 0.30

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
SCHEMBL10238236 0.83 SLC6A3 (0.35) PPARDPPARACYP1A2LMNACYP2C9
SCHEMBL9717383 0.66 ADORA3 (0.45) CYP1A2LMNACYP2C9CYP2C19POLB
SCHEMBL1160395 0.66 L3MBTL1 (0.37) PPARDPPARACYP1A2LMNACYP2C9
SCHEMBL2763495 0.62 NPC1 (0.45) CYP1A2LMNACYP2C9CYP2C19MEN1
SCHEMBL10949114 0.62 PREP (0.37) LMNAPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL9106301 0.61 MDM4 (0.34) PPARDPPARACYP1A2CYP2C9CYP2C19
SCHEMBL13480190 0.60 MEN1 (0.47) CYP1A2POLBMEN1NPC1RAB9A
SCHEMBL1160646 0.59 NPC1 (0.42) PPARDPPARALMNAFOSJUN
SCHEMBL10238098 0.59 NPC1 (0.39) PPARDPPARAMEN1NPC1RAB9A
SCHEMBL607395 0.59 NPC1 (0.39) CYP1A2LMNAFOSJUNNFKB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176222-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-11-05 — — EP disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — US disclosed
WO-2009015877-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-05 — — 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-20120040826-A1 NOVEL HERBICIDES DDT, HDHD5, DDC PPARD 77/4885PPARA 452/4885CYP1A2 227/4885

“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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