SCHEMBL12426595

SCHEMBL12426595

CCN1Cc2ccc3ccccc3c2-c2c(ccc3ccccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HTR7 P34969 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL12786376 0.86 DRD2 (0.47) MAPTALDH1A1KDM4EDRD2DRD4
SCHEMBL811240 0.81 TSHR (0.38) MAPTHSD17B10TSHRTDP1DRD2
SCHEMBL12599868 0.79 CYP1A2 (0.49) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL13709448 0.79 DRD2 (0.37) MAPTALDH1A1HSD17B10KDM4ECYP2A6
SCHEMBL19797772 0.75 TMEM97 (0.40) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL682960 0.74 ALDH1A1 (0.55) MAPTALDH1A1KDM4E
SCHEMBL32082017 0.74 ALDH1A1 (0.55) MAPTALDH1A1KDM4E
SCHEMBL13317746 0.73 DRD2 (0.34) MAPTALDH1A1HSD17B10KDM4ECYP2A6
SCHEMBL12786238 0.73 DRD2 (0.34) MAPTALDH1A1HSD17B10KDM4ECYP2A6
SCHEMBL12599382 0.72 MC4R (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS NOVARTIS PHARMA AG (CH) 2018-01-25 US disclosed
US-7994355-B2 Metallocene-based chiral phosphine or arsine ligands SOLVIAS AG (CH) 2011-08-09 US disclosed
US-7906669-B2 Metallocene-based phosphorus chiral phosphines SOLVIAS AG (CH) 2011-03-15 US disclosed
US-20090137824-A1 METALLOCENE-BASED PHOSPHORUS CHIRAL PHOSPHINES PHOENIX CHEMICALS LTD (GB) 2009-05-28 US disclosed
EP-1709054-B1 METALLOCENE-BASED CHIRAL PHOSPHINE OR ARSINE LIGANDS PHOENIX CHEMICALS LTD (GB) 2009-03-04 EP disclosed
US-20080281106-A1 Process for the Production of Asymmetric Transformation Catalysts PHOENIX CHEMICALS LIMITED (GB) 2008-11-13 US disclosed
US-20080242876-A1 Process For the Manufacture of Substituted Propionic Acids PHOENIX CHEMICALS LTD. (GB) 2008-10-02 US disclosed
US-20070161762-A1 Metallocene-based chiral phosphine or arsine ligands PHOENIX CHEMICALS LIMITED (GB) 2007-07-12 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 (5 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-20080281106-A1 Process for the Production of Asymmetric Transformation Catalysts OXSR1, OXGR1, OSR1 MEN1 2434/4885KMT2A 2666/4885MAPT 4731/4885
US-20070161762-A1 Metallocene-based chiral phosphine or arsine ligands OSGEP, PHOSPHO1, ITPA MEN1 119/4885KMT2A 2944/4885MAPT 4021/4885
US-20090137824-A1 METALLOCENE-BASED PHOSPHORUS CHIRAL PHOSPHINES POLL, ZNF207, ZC3HAV1L MEN1 1134/4885KMT2A 1388/4885MAPT 4816/4885
US-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS MME, ACE, REN MEN1 1768/4885KMT2A 2638/4885MAPT 326/4885
US-20080242876-A1 Process For the Manufacture of Substituted Propionic Acids AS3MT, PPA1, AGPS MEN1 601/4885KMT2A 1689/4885MAPT 3886/4885

“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.