SCHEMBL1305045

SCHEMBL1305045

c1ccc(C(NCc2cccc3ccccc23)C(NCc2cccc3ccccc23)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CA2 P00918 1/20 0.47
MEN1 O00255 2/20 0.46
MAPT P10636 1/20 0.46
MC5R P33032 2/20 0.45
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 2/20 0.44
MC1R Q01726 1/20 0.44
LMNA P02545 1/20 0.43
PTGER4 P35408 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL14099907 1.00 KMT2A (0.50) KMT2ATDP1KDM4EALDH1A1CA2
SCHEMBL3672190 0.83 KMT2A (0.57) KMT2ATDP1KDM4EALDH1A1MEN1
SCHEMBL29864849 0.83 KMT2A (0.57) KMT2ATDP1KDM4EALDH1A1MEN1
SCHEMBL9674056 0.83 KMT2A (0.57) KMT2ATDP1KDM4EALDH1A1MEN1
SCHEMBL3672185 0.83 KMT2A (0.57) KMT2ATDP1KDM4EALDH1A1MEN1
SCHEMBL20495654 0.78 KMT2A (0.56) KMT2ATDP1KDM4EALDH1A1CA2
SCHEMBL8851088 0.78 BCHE (0.57) KMT2ATDP1KDM4EALDH1A1CA2
SCHEMBL15797480 0.77 KMT2A (0.59) KMT2ATDP1KDM4EALDH1A1CA2
SCHEMBL15741913 0.77 KMT2A (0.63) KMT2ATDP1KDM4EALDH1A1CA2
Hydrochloric Acid SCHEMBL11614832 0.77 KMT2A (0.56) KMT2ATDP1KDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1970360-B1 Method for producing alcohols TAKASAGO PERFUMERY CO LTD (JP) 2016-08-31 EP disclosed
EP-2392400-B1 Homogeneous asymmetric hydrogenation method TAKASAGO PERFUMERY CO LTD (JP) 2014-05-07 EP 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-8481791-B2 Homogeneous asymmetric hydrogenation process TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-09 US disclosed
EP-2392400-A2 Homogeneous asymmetric hydrogenation catalyst Takasago International Corporation (JP) 2011-12-07 EP disclosed
US-8053592-B2 Method for producing optically active α-ionone TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-11-08 US disclosed
US-20110118500-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE a-IONONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 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-7902404-B2 Method for producing optically active α-ionone 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-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-20090216039-A1 Method for Producing Optically Active Alpha-Ionone TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-27 US disclosed
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-13 US disclosed
US-7569735-B2 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature TAKASAGO INTERNATIONAL (JP) 2009-08-04 US disclosed
US-20080228012-A1 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature TAKASAGO INTERNATIONAL CORPORATION 2008-09-18 US disclosed
EP-1970360-A1 Method for producing alcohols Takasago International Corporation (JP) 2008-09-17 EP 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 (7 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 KMT2A 1200/4885TDP1 4777/4885KDM4E 3794/4885
US-20110118500-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE a-IONONE INF2, HSD17B1, AGL KMT2A 4638/4885TDP1 4058/4885KDM4E 4722/4885
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst HDHD5, HHAT, HACL2 KMT2A 847/4885TDP1 4724/4885KDM4E 3765/4885
US-20110065929-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST HDHD5, HHAT, HACL2 KMT2A 847/4885TDP1 4724/4885KDM4E 3765/4885
US-20080228012-A1 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature LPXN, LIPE, MLX KMT2A 2912/4885TDP1 3947/4885KDM4E 2963/4885
US-20090216039-A1 Method for Producing Optically Active Alpha-Ionone HSD17B1, ENO1, INF2 KMT2A 4695/4885TDP1 3943/4885KDM4E 4730/4885
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process HDHD5, HHAT, HVCN1 KMT2A 1200/4885TDP1 4777/4885KDM4E 3794/4885

“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.