SCHEMBL855995

SCHEMBL855995

CC1=C(C)C(C)(C)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP3A4 P08684 1/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
SHBG P04278 1/20 0.31
TRPA1 O75762 1/20 0.30
CTSD P07339 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
SCHEMBL14648617 0.78 MAPT (0.37) MAPTALOX15CYP3A4ESR1ESR2
SCHEMBL11992937 0.78 MAPT (0.37) MAPTALOX15CYP3A4ESR1ESR2
SCHEMBL7759337 0.76 MAPT (0.36) MAPTALOX15CYP3A4ESR1ESR2
SCHEMBL14416578 0.76 MAPT (0.39) MAPTALOX15CYP3A4ESR1ESR2
SCHEMBL4266617 0.76 CYP3A4 (0.37) MAPTALOX15CYP3A4ESR1ESR2
SCHEMBL4274331 0.76 MAPT (0.42) MAPTALOX15CYP3A4ESR1ESR2
SCHEMBL19167947 0.76 MAPT (0.39) MAPTALOX15CYP3A4ESR1ESR2
SCHEMBL1537019 0.74 CTSD (0.32) CTSD
SCHEMBL14416576 0.73 MAPT (0.37) MAPTALOX15CYP3A4ESR1ESR2
SCHEMBL10067412 0.73 TRPA1 (0.38) MAPTALOX15CYP3A4ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10920230-B2 Methylotrophs for aquaculture and animal feed KNIPBIO, INC. (US) 2021-02-16 US disclosed
WO-2017133675-A1 METHOD FOR PREPARING HIGH-PURITY CYCLOHEXENONE LONG-CHAIN ALCOHOL 大鹏药品工业株式会社 2017-08-10 WO disclosed
WO-2017125087-A1 MANUFACTURING METHOD FOR HIGH-PURITY CYCLOHEXENONE LONG-CHAIN ALCOHOL 大鹏药品工业株式会社 2017-07-27 WO disclosed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
WO-2011032936-A1 NITROOXYESTERS, THEIR PREPARATION AND USE DSM IP ASSETS B.V. (NL) 2011-03-24 WO disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed
US-5427905-A Thermally processable image-recording material including reductone developing agent POLAROID CORPORATION (US) 1995-06-27 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA MAPT 1278/4885ALOX15 599/4885CYP3A4 493/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA MAPT 1639/4885ALOX15 585/4885CYP3A4 652/4885

“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.