SCHEMBL3786970

SCHEMBL3786970

C=CCCCCCCCCCOCCOCCOCCOCCOCCOCCN

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.42
LPAR2 Q9HBW0 1/20 0.42
TSHR P16473 2/20 0.39
ADORA1 P30542 1/20 0.37
ABCC4 O15439 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
SLC2A1 P11166 1/20 0.33
TRPA1 O75762 1/20 0.32
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 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
SCHEMBL25113324 0.98 LPAR3 (0.44) LPAR3LPAR2TSHRADORA1ABCC4
SCHEMBL13345367 0.96 LPAR3 (0.41) LPAR3LPAR2TSHRADORA1ABCC4
SCHEMBL19619508 0.91 ALDH1A1 (0.35) LPAR3LPAR2TSHRADORA1ALDH1A1
SCHEMBL16581595 0.89 LPAR3 (0.50) LPAR3LPAR2TSHRADORA1ABCC4
SCHEMBL16581539 0.89 LPAR3 (0.50) LPAR3LPAR2TSHRADORA1ABCC4
SCHEMBL22268773 0.88 TSHR (0.37) LPAR3LPAR2TSHRABCC4MAPT
SCHEMBL22268682 0.87 LPAR3 (0.37) LPAR3LPAR2TSHRADORA1ALDH1A1
SCHEMBL16581541 0.86 LPAR3 (0.46) LPAR3LPAR2TSHRADORA1ABCC4
SCHEMBL2027305 0.86 LPAR3 (0.52) LPAR3LPAR2TSHRADORA1ABCC4
SCHEMBL891891 0.86 LPAR3 (0.52) LPAR3LPAR2TSHRADORA1ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1607743-B1 Silane molecules with pre-activated and protein-resistant functionalities and silane films comprising such molecules IMEC (BE) 2010-08-11 EP disclosed
US-7285674-B2 Silane molecules with pre-activated and protein-resistant functionalities and silane films comprising such molecules INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM (IMEC) (BE) 2007-10-23 US disclosed
EP-1607743-A1 Silane molecules with pre-activated and protein-resistant functionalities and silane films comprising such molecules INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM ( IMEC) (BE) 2005-12-21 EP disclosed
US-20050255514-A1 Silane molecules with pre-activated and protein-resistant functionalities and silane films comprising such molecules INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM (IMEC) (BE) 2005-11-17 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 (1 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-20050255514-A1 Silane molecules with pre-activated and protein-resistant functionalities and silane films comprising such molecules YWHAH, YWHAE, YWHAB LPAR3 3164/4885LPAR2 2649/4885TSHR 2351/4885

“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.