SCHEMBL2744377

SCHEMBL2744377

C=CCO[C@H]1[C@H](O)[C@H](OCc2ccc(OC)cc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.44
LTA4H P09960 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TACR1 P25103 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ACHE P22303 1/20 0.40
PDPK1 O15530 1/20 0.40
MTOR P42345 1/20 0.40
FFAR1 O14842 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABCB1 P08183 1/20 0.39
FABP7 O15540 1/20 0.38

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
SCHEMBL2744036 1.00 BCHE (0.44) BCHELTA4HALDH1A1TP53CYP3A4
SCHEMBL6373110 1.00 BCHE (0.44) BCHELTA4HALDH1A1TP53CYP3A4
SCHEMBL7434030 1.00 BCHE (0.44) BCHELTA4HALDH1A1TP53CYP3A4
SCHEMBL2744115 1.00 BCHE (0.44) BCHELTA4HALDH1A1TP53CYP3A4
SCHEMBL7432416 0.97 BCHE (0.44) BCHELTA4HALDH1A1TP53CYP3A4
SCHEMBL7438014 0.93 LTA4H (0.49) BCHELTA4HALDH1A1TP53CYP3A4
SCHEMBL7426068 0.93 LTA4H (0.49) BCHELTA4HALDH1A1TP53CYP3A4
SCHEMBL9456318 0.89 BCHE (0.52) BCHEALDH1A1CYP3A4ALOX15TSHR
SCHEMBL2420914 0.89 LTA4H (0.53) BCHELTA4HTP53TSHRSMN1; SMN2
SCHEMBL9456403 0.89 BCHE (0.52) BCHEALDH1A1CYP3A4ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817319-B1 INOSITOL-PHOSPHATE DERIVATIVES AND METHOD OF DETECTING INOSITOL-1-PHOSPHATE CIS BIO INT (FR) 2013-07-03 EP disclosed
US-8178704-B2 For analyzing seven transmembrane domain receptors coupled to phospholipase C and receptors having tyrosine kinase activity; kits; monoclonal/polyclonal antibodies CIS BIO INTERNATIONAL (FR) 2012-05-15 US disclosed
US-20080261237-A1 Inositol-Phosphate Derivatives and Method of Detecting Inositol-1-Phosphate CIS BIO INTERNATIONAL (FR) 2008-10-23 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-20080261237-A1 Inositol-Phosphate Derivatives and Method of Detecting Inositol-1-Phosphate IPMK, PLCG1, IP6K1 BCHE 2690/4885LTA4H 866/4885ALDH1A1 2881/4885

“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.