SCHEMBL933064

SCHEMBL933064

CC(C)(C)C(O)(COc1ccc(Br)cc1)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.43
▸ CYP3A4 P08684 5/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ CYP3A5 P20815 2/20 0.38
▸ KCNA5 P22460 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ THRB P10828 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
SCHEMBL10999210 0.88 KCNA5 (0.47) CYP19A1CYP3A4CYP2C9CYP2C19KCNA5
SCHEMBL12870549 0.85 CYP19A1 (0.41) CYP19A1CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL933065 0.84 CYP19A1 (0.43) CYP19A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9375772 0.79 POLB (0.41) CYP19A1CYP3A4MAPTKMT2ACYP3A5
SCHEMBL933688 0.76 PKM (0.45) CYP19A1CYP3A4CYP2C9CYP2C19KCNA5
SCHEMBL9372144 0.76 NOTUM (0.46) CYP19A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL934753 0.76 CYP19A1 (0.41) CYP19A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9373572 0.74 CYP3A4 (0.50) CYP19A1CYP3A4CYP3A5KCNA5
SCHEMBL9794542 0.74 CYP19A1 (0.48) CYP19A1CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL442378 0.74 ALDH1A1 (0.35) CYP3A4CYP2C9CYP2C19ALDH1A1RECQL

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 10 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

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 CYP19A1 1895/4885CYP3A4 1208/4885CYP2C9 3018/4885
US-20110039865-A1 Phenyl(oxy/thio)alkanol Derivatives MYB, ALKBH3, OSBP CYP19A1 1895/4885CYP3A4 1208/4885CYP2C9 3018/4885

“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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