SCHEMBL9609518

SCHEMBL9609518

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
DAO P14920 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
PIK3CD O00329 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
SCHEMBL1020575 0.87 TLR4 (0.34) DAO
SCHEMBL21651113 0.80 DAO (0.37) MAPTALDH1A1DAOKMT2APOLB
SCHEMBL11690801 0.77 MAPT (0.30) MAPTALDH1A1KMT2A
SCHEMBL3938297 0.76
SCHEMBL11694602 0.75 ACE2 (0.36) MAPTKMT2AMEN1
SCHEMBL11691381 0.73 MAPT (0.30) MAPT
SCHEMBL11688054 0.73 MAPT (0.30) MAPTALDH1A1KMT2AMEN1
SCHEMBL11693794 0.72
SCHEMBL3936524 0.72 MAPT (0.38) MAPTALDH1A1KMT2APOLBMEN1
SCHEMBL27439304 0.72 MAPT (0.38) MAPTALDH1A1KMT2APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046147-B1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-01 EP claimed
US-9000192-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-04-07 US disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-08-22 US disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 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 (3 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 MAPT 2035/4885ALDH1A1 223/4885DAO 1164/4885
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 MAPT 1810/4885ALDH1A1 122/4885DAO 432/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 MAPT 1870/4885ALDH1A1 61/4885DAO 616/4885

“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.