SCHEMBL933688

SCHEMBL933688

CC(C)(C)C(O)(CSc1ccc(Br)cc1)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KCNA5 P22460 1/20 0.38
▸ CYP11B1 P15538 2/20 0.37
▸ CYP11B2 P19099 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP19A1 P11511 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HIF1A Q16665 1/20 0.35

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
SCHEMBL10730287 0.89 POLB (0.43) PKMPOLBNPC1RAB9AL3MBTL1
SCHEMBL10729049 0.88 CYP19A1 (0.47) POLBNPC1RAB9AL3MBTL1KCNA5
SCHEMBL10724078 0.87 CYP19A1 (0.43) NPC1RAB9AL3MBTL1KCNA5CYP11B1
SCHEMBL10724819 0.87 CYP19A1 (0.52) NPC1RAB9AL3MBTL1CYP3A4CYP19A1
SCHEMBL10730234 0.86 POLB (0.44) PKMPOLBNPC1RAB9AL3MBTL1
SCHEMBL12870553 0.85 CYP19A1 (0.41) PKMPOLBNPC1RAB9AL3MBTL1
SCHEMBL933961 0.84 POLB (0.43) PKMPOLBNPC1RAB9AL3MBTL1
SCHEMBL10730253 0.82 CYP3A4 (0.42) NPC1RAB9AL3MBTL1KCNA5CYP11B1
SCHEMBL10724842 0.82 CYP19A1 (0.46) KCNA5LMNACYP3A4CYP19A1
SCHEMBL10726693 0.81 KCNA5 (0.46) PKMPOLBNPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140357649-A1 Phenyl(oxy/thio)alkanol Derivatives BAYER CROPSCIENCE AG (DE) 2014-12-04 — — US claimed
EP-2451784-A1 PHENYL(OXY/THIO)ALKANOL DERIVATIVES Bayer CropScience AG (DE) 2012-05-16 — — EP claimed
US-20110039865-A1 Phenyl(oxy/thio)alkanol Derivatives BAYER CROPSCIENCE AG (DE) 2011-02-17 — — US claimed
WO-2011003527-A1 PHENYL(OXY/THIO)ALKANOL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-01-13 — — WO claimed
US-9321732-B2 Phenyl(oxy/thio)alkanol derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-26 — — US disclosed
US-9051277-B2 Phenyl(oxy/thio)alkanol derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 — — US disclosed
US-20140357649-A1 Phenyl(oxy/thio)alkanol Derivatives BAYER CROPSCIENCE AG (DE) 2014-12-04 — — US disclosed
EP-2451784-A1 PHENYL(OXY/THIO)ALKANOL DERIVATIVES Bayer CropScience AG (DE) 2012-05-16 — — EP disclosed
US-20110039865-A1 Phenyl(oxy/thio)alkanol Derivatives BAYER CROPSCIENCE AG (DE) 2011-02-17 — — US disclosed
WO-2011003527-A1 PHENYL(OXY/THIO)ALKANOL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-01-13 — — WO disclosed
US-4677128-A (Arylthio)-pyridylalkanols and their use as fungicides RHONE-POULENC AGROCHIMIE (FR) 1987-06-30 — — 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-20140357649-A1 Phenyl(oxy/thio)alkanol Derivatives MYB, ALKBH3, OSBP PKM 1529/4885POLB 1600/4885NPC1 2853/4885
US-20110039865-A1 Phenyl(oxy/thio)alkanol Derivatives MYB, ALKBH3, OSBP PKM 1529/4885POLB 1600/4885NPC1 2853/4885

“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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