SCHEMBL17000258

SCHEMBL17000258

CCn1cc(C(C)C(C)C)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM5B Q9UGL1 1/20 0.36
PIM1 P11309 1/20 0.33
LMNA P02545 3/20 0.32
MAPT P10636 3/20 0.32
CYP2C19 P33261 1/20 0.32
GFER P55789 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
LRRK2 Q5S007 1/20 0.32
ACHE P22303 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL17000240 0.84 L3MBTL1 (0.47) KMT2AALDH1A1KDM5BMAPTPIK3CD
SCHEMBL1619043 0.83 KMT2A (0.40) KMT2AALDH1A1KDM5BPIM1LMNA
SCHEMBL23634155 0.82 ACHE (0.47) KDM5BPIM1ACHEKDM5A
SCHEMBL18460720 0.79 ALDH1A1 (0.40) KMT2AALDH1A1KDM5BPIM1LMNA
SCHEMBL24916434 0.79 ALDH1A1 (0.43) KMT2AALDH1A1KDM5BPIM1LMNA
SCHEMBL15564509 0.79 ALDH1A1 (0.40) KMT2AALDH1A1KDM5BPIM1LMNA
SCHEMBL17000237 0.79 ACHE (0.41) PIK3CAACHE
SCHEMBL17002590 0.79 MAPT (0.33) MAPTACHEL3MBTL1
SCHEMBL17000233 0.77 NR1I2 (0.36) LRRK2ACHE
SCHEMBL18672413 0.77 KDM5B (0.34) KMT2AALDH1A1KDM5BPIM1KDM5A

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
US-9516880-B2 Herbicidal and fungicidal 5-oxy-substituted 3-phenylisoxazoline-5-carboxamides and 5-oxy-substituted 3-phenylisoxazoline-5-thioamides BAYER CROPSCIENCE AG (DE) 2016-12-13 US disclosed
US-9516880-B2 Herbicidal and fungicidal 5-oxy-substituted 3-phenylisoxazoline-5-carboxamides and 5-oxy-substituted 3-phenylisoxazoline-5-thioamides BAYER CROPSCIENCE AG (DE) 2016-12-13 US disclosed
US-20150245616-A1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
US-20150245616-A1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
US-20150223461-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-08-13 US disclosed
US-20150223461-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-08-13 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 (2 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-20150223461-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES CBR3, CYP3A7, PRDX3 KMT2A 1050/4885ALDH1A1 636/4885KDM5B 1220/4885
US-20150245616-A1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES CYP4X1, PRDX4, PRDX5 KMT2A 1632/4885ALDH1A1 1363/4885KDM5B 515/4885

“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.