SCHEMBL15905925

SCHEMBL15905925

Cc1ccc2c(c1-c1c(P(c3ccccc3)c3ccccc3)ccc3c1OCCN3C)OCCN2C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.34
POLB P06746 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.33
PKM P14618 1/20 0.33
NSD2 O96028 1/20 0.33
LMNA P02545 1/20 0.33
PTGER3 P43115 2/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
DRD1 P21728 1/20 0.31
DRD2 P14416 2/20 0.31
CYP17A1 P05093 1/20 0.31
CYP1A2 P05177 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
SCHEMBL30818349 0.93 GRM5 (0.39) GRM5L3MBTL1POLBPTGES2CYP11B1
SCHEMBL726239 0.93 GRM5 (0.39) GRM5L3MBTL1POLBPTGES2CYP11B1
SCHEMBL19912184 0.85 TNKS (0.34) GRM5DRD2
SCHEMBL19009978 0.83 GRM5 (0.33) GRM5DRD1
SCHEMBL13681621 0.82 SCN9A (0.37) GRM5DRD2
SCHEMBL12661284 0.82 PKM (0.39) GRM5L3MBTL1POLBPTGES2PKM
SCHEMBL1224769 0.81 CYP11B1 (0.33) GRM5PKMCYP11B1CYP11B2DRD1
SCHEMBL12446372 0.81 PTGER3 (0.36) GRM5L3MBTL1POLBPKMPTGER3
SCHEMBL17426088 0.79 DRD1 (0.33) L3MBTL1LMNADRD1
SCHEMBL16449685 0.76 HTR1A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758457-B2 Water-insoluble ruthenium catalyst composition for use in aqueous hydrogenation reactions DEXLECHEM GMBH (DE) 2017-09-12 US disclosed
US-20160355454-A1 WATER-INSOLUBLE RUTHENIUM CATALYST COMPOSITION FOR USE IN AQUEOUS HYDROGENATION REACTIONS DEXLECHEM GMBH (DE) 2016-12-08 US disclosed
US-9433937-B2 Water-insoluble ruthenium catalyst composition for use in aqueous hydrogenation reactions DEXLECHEM GMBH (DE) 2016-09-06 US disclosed
US-20160008803-A1 WATER-INSOLUBLE RUTHENIUM CATALYST COMPOSITION FOR USE IN AQUEOUS HYDROGENATION REACTIONS DEXLECHEM GMBH (DE) 2016-01-14 US disclosed
US-8791300-B2 Process for preparing a substituted dimethyl-(3-arylbutyl)amine compound by homogeneous catalysis GRUENENTHAL GMBH (DE) 2014-07-29 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 (2 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-20160008803-A1 WATER-INSOLUBLE RUTHENIUM CATALYST COMPOSITION FOR USE IN AQUEOUS HYDROGENATION REACTIONS KRAS, PWWP2B, WIZ GRM5 2511/4885L3MBTL1 4724/4885POLB 136/4885
US-20160355454-A1 WATER-INSOLUBLE RUTHENIUM CATALYST COMPOSITION FOR USE IN AQUEOUS HYDROGENATION REACTIONS KRAS, PWWP2B, WIZ GRM5 2511/4885L3MBTL1 4724/4885POLB 136/4885

“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.