SCHEMBL9962912

SCHEMBL9962912

CP(=O)(O)OCC(O)CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
LPAR5 Q9H1C0 2/20 0.37
GABRR1 P24046 1/20 0.35
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
DUSP3 P51452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
LPAR6 P43657 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR4 Q99677 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
ENPP2 Q13822 1/20 0.34

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
SCHEMBL14803320 1.00 SMN1; SMN2 (0.47) SMN1; SMN2LPAR5GABRR1GABBR2GABBR1
SCHEMBL17715424 1.00 SMN1; SMN2 (0.47) SMN1; SMN2LPAR5GABRR1GABBR2GABBR1
SCHEMBL15625020 0.84 SMN1; SMN2 (0.49) SMN1; SMN2LPAR5GABRR1GABBR2GABBR1
SCHEMBL12677435 0.84 SMN1; SMN2 (0.49) SMN1; SMN2LPAR5GABRR1GABBR2GABBR1
SCHEMBL14031447 0.82 LPAR5 (0.41) SMN1; SMN2LPAR5GABRR1GABBR2GABBR1
SCHEMBL213379 0.81 PGK1 (0.52) SMN1; SMN2LPAR5LMNAALDH1A1PGK1
SCHEMBL7340 0.81 PGK1 (0.52) SMN1; SMN2LPAR5LMNAALDH1A1PGK1
SCHEMBL14278848 0.81 PGK1 (0.52) SMN1; SMN2LPAR5LMNAALDH1A1PGK1
SCHEMBL7341 0.81 PGK1 (0.52) SMN1; SMN2LPAR5LMNAALDH1A1PGK1
SCHEMBL30148756 0.81 SMN1; SMN2 (0.46) SMN1; SMN2LPAR5USP2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9545372-B2 Oral and dental hygiene and cleaning agents for reducing re-staining of teeth HENKEL AG & CO. KGAA (DE) 2017-01-17 US disclosed
US-20160101035-A1 ORAL AND DENTAL HYGIENE AND CLEANING AGENTS FOR REDUCING RE-STAINING OF TEETH HENKEL AG & CO. KGAA (DE) 2016-04-14 US disclosed
US-8501242-B2 Methods and compositions for treating neoplasia UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2013-08-06 US disclosed
US-8252878-B2 Polymer BIOCOMPATIBLES UK LIMITED (GB) 2012-08-28 US disclosed
US-20120156212-A1 METHODS AND COMPOSITIONS FOR TREATING NEOPLASIA UNIVERSITY OF FLORIDA RESEARCH FOUNDATION 2012-06-21 US disclosed
US-20090304770-A1 POLYMER BIOCOMPATIBLES UK LIMITED (GB) 2009-12-10 US disclosed
US-7160953-B2 Polymeric surface coatings BIOCOMPATIBLES UK LIMITED (GB) 2007-01-09 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 (3 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-20160101035-A1 ORAL AND DENTAL HYGIENE AND CLEANING AGENTS FOR REDUCING RE-STAINING OF TEETH CAT, MPO, DHX35 SMN1; SMN2 4376/4885LPAR5 3217/4885GABRR1 4367/4885
US-20090304770-A1 POLYMER MLX, BMX, PUF60 SMN1; SMN2 4486/4885LPAR5 4808/4885GABRR1 657/4885
US-20120156212-A1 METHODS AND COMPOSITIONS FOR TREATING NEOPLASIA TYMS, UNG, TYMP SMN1; SMN2 3011/4885LPAR5 3097/4885GABRR1 3488/4885

“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.