SCHEMBL1305449

SCHEMBL1305449

c1ccc(CN/C(=C(/NCc2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
ALOX12 P18054 2/20 0.58
HPGD P15428 1/20 0.58
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
TP53 P04637 1/20 0.55
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
IDO1 P14902 2/20 0.52
THRB P10828 1/20 0.52

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
SCHEMBL23021654 0.81 GRIN2D (0.45) ALDH1A1ALOX12HPGDGAAMAPT
SCHEMBL28019981 0.78 CYP2C9 (0.50) ALDH1A1HPGDGAAMAPTKMT2A
SCHEMBL28019983 0.78 CYP2C9 (0.50) ALDH1A1HPGDGAAMAPTKMT2A
SCHEMBL1520880 0.77 KEAP1 (0.69) ALDH1A1ALOX12HPGDGAAMAPT
SCHEMBL457082 0.77 HDAC6 (0.79) ALDH1A1HPGDGAATP53CA2
SCHEMBL456940 0.77 THRB (0.54) ALDH1A1ALOX12HPGDGAAMAPT
SCHEMBL9193082 0.77 ALDH1A1 (0.54) ALDH1A1ALOX12HPGDGAAMAPT
SCHEMBL9824755 0.77 ALDH1A1 (0.54) ALDH1A1ALOX12HPGDGAAMAPT
SCHEMBL13903692 0.77 EPHX2 (0.51) ALDH1A1ALOX12GAAMAPTKMT2A
Hydrochloric Acid SCHEMBL3757721 0.76 HDAC6 (0.76) ALDH1A1HPGDGAATP53CA2

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 ALDH1A1 1327/4885ALOX12 83/4885HPGD 167/4885
US-20110118500-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE a-IONONE INF2, HSD17B1, AGL ALDH1A1 322/4885ALOX12 380/4885HPGD 339/4885
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst HDHD5, HHAT, HACL2 ALDH1A1 1221/4885ALOX12 94/4885HPGD 138/4885
US-20110065929-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST HDHD5, HHAT, HACL2 ALDH1A1 1221/4885ALOX12 94/4885HPGD 138/4885
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 ALDH1A1 1512/4885ALOX12 50/4885HPGD 543/4885
US-20090216039-A1 Method for Producing Optically Active Alpha-Ionone HSD17B1, ENO1, INF2 ALDH1A1 357/4885ALOX12 470/4885HPGD 241/4885
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process HDHD5, HHAT, HVCN1 ALDH1A1 1327/4885ALOX12 83/4885HPGD 167/4885

“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.