SCHEMBL12786256

SCHEMBL12786256

CC(C)P(c1ccccc1[C@H](C)N(C)C)c1ccccc1[C@H](C)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C9 P11712 1/20 0.44
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
LMNA P02545 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
ACHE P22303 3/20 0.31
NISCH Q9Y2I1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
BCHE P06276 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
SCHEMBL2706290 0.77 CRHBP (0.44) MEN1MAPTKMT2ACYP2C9CRHBP
SCHEMBL31479934 0.77 CRHBP (0.44) MEN1MAPTKMT2ACYP2C9CRHBP
SCHEMBL19170233 0.71 ROCK2 (0.37) MEN1MAPTKMT2ACYP2C9CRHBP
SCHEMBL12786251 0.70 MEN1 (0.50) MEN1MAPTKMT2ACYP2C9CRHBP
SCHEMBL19122294 0.70 MEN1 (0.50) MEN1MAPTKMT2ACYP2C9CRHBP
SCHEMBL10687333 0.70 MEN1 (0.50) MEN1MAPTKMT2ACYP2C9CRHBP
SCHEMBL12672004 0.70 MEN1 (0.50) MEN1MAPTKMT2ACYP2C9CRHBP
SCHEMBL10257157 0.69 ALDH1A1 (0.52) CYP2C9ALDH1A1
SCHEMBL31584938 0.69 ALDH1A1 (0.52) CYP2C9ALDH1A1
SCHEMBL9241581 0.68 MEN1 (0.48) MEN1MAPTKMT2ACYP2C9CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586498-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-11-19 US disclosed
US-8586498-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-11-19 US disclosed
US-8497400-B2 Homogeneous asymmetric hydrogenation process TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-30 US disclosed
US-8497400-B2 Homogeneous asymmetric hydrogenation process TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-30 US disclosed
US-8481791-B2 Homogeneous asymmetric hydrogenation process TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-09 US disclosed
US-8481791-B2 Homogeneous asymmetric hydrogenation process TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-09 US disclosed
US-20110065929-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-17 US disclosed
US-20110065929-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-17 US disclosed
US-7902110-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-7902110-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-07-01 US disclosed
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-07-01 US disclosed
US-20100137615-A1 Homogeneous Asymmetric Hydrogenation Process TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-06-03 US disclosed
US-20100137615-A1 Homogeneous Asymmetric Hydrogenation Process TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-06-03 US disclosed
EP-2095875-A1 Homogeneous asymmetric hydrogenation catalyst Takasago International Corporation (JP) 2009-09-02 EP disclosed
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-13 US disclosed
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-13 US disclosed
EP-1911516-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2008-04-16 EP 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 (4 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-20100137615-A1 Homogeneous Asymmetric Hydrogenation Process HDHD5, HHAT, HVCN1 MEN1 3092/4885MAPT 3297/4885KMT2A 1200/4885
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst HDHD5, HHAT, HACL2 MEN1 2776/4885MAPT 3419/4885KMT2A 847/4885
US-20110065929-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST HDHD5, HHAT, HACL2 MEN1 2776/4885MAPT 3419/4885KMT2A 847/4885
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process HDHD5, HHAT, HVCN1 MEN1 3092/4885MAPT 3297/4885KMT2A 1200/4885

“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.