SCHEMBL10238105

SCHEMBL10238105

Cc1onc(-c2ccc(Cl)cc2)c1C1C(=O)[C@@H]2CC[C@@H](C2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.41
▸ CACNA1F O60840 2/20 0.38
▸ CACNA1D Q01668 2/20 0.38
▸ CACNA1S Q13698 2/20 0.38
▸ CACNA1C Q13936 2/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL10238101 0.72 TARBP2 (0.41) KDM4EMAPTNPC1MEN1KMT2A
SCHEMBL10237934 0.69 RAB9A (0.40) KDM4EMAPTNPC1MEN1KMT2A
SCHEMBL10237969 0.69 SMN1; SMN2 (0.46) KDM4EMAPTNPC1MEN1CYP1A2
SCHEMBL10262345 0.67 GPBAR1 (0.51) GPBAR1NPSR1KDM4EMAPK1GABRA5
SCHEMBL608580 0.67 SLC6A3 (0.36) KDM4EMAPK1MAPTMEN1KMT2A
SCHEMBL5708155 0.66 GPBAR1 (0.66) GPBAR1KDM4EMAPTNPC1MEN1
SCHEMBL10238173 0.66 KDM1A (0.36) NPSR1KDM4EMAPK1MAPTNPC1
SCHEMBL10238098 0.66 NPC1 (0.39) KDM4EMAPTNPC1MEN1KMT2A
SCHEMBL18557580 0.65 GPBAR1 (0.47) GPBAR1NPSR1KDM4EMAPK1GABRA5
SCHEMBL10237948 0.65 MAPT (0.38) KDM4EMAPTNPC1MEN1CYP1A2

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 GPBAR1 1914/4885CACNA1F 2834/4885CACNA1D 1372/4885

“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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