SCHEMBL9464129

SCHEMBL9464129

OCC(O)C(O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TRPA1 O75762 3/20 0.44
FDPS P14324 1/20 0.42
TSHR P16473 1/20 0.41
HIF1A Q16665 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A2 P23975 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KCNA5 P22460 1/20 0.37
LMNA P02545 2/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
VDR P11473 1/20 0.35
CA1 P00915 1/20 0.34
MMP8 P22894 1/20 0.34
CETP P11597 1/20 0.33

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
SCHEMBL27440219 0.81 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19TRPA1FDPS
SCHEMBL27440222 0.81 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19TRPA1FDPS
SCHEMBL16265936 0.80 TRPA1 (0.50) CYP1A2CYP2C9CYP2C19TRPA1FDPS
SCHEMBL3779619 0.79 TRPA1 (0.48) CYP1A2CYP2C9CYP2C19TRPA1FDPS
SCHEMBL22491793 0.79 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19TRPA1FDPS
SCHEMBL828590 0.79 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19TRPA1FDPS
SCHEMBL29387097 0.77 TRPA1 (0.43) CYP1A2CYP2C9CYP2C19TRPA1FDPS
SCHEMBL27674334 0.77 TRPA1 (0.43) CYP1A2CYP2C9CYP2C19TRPA1FDPS
SCHEMBL11022533 0.76 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19TRPA1FDPS
SCHEMBL4445459 0.74 TRPA1 (0.52) CYP1A2CYP2C9CYP2C19TRPA1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290531-B2 Synthetic LTA mimetics and use thereof as vaccine component for therapy and/or prophylaxis against gram-positive infections Universitätsklinikum Freiburg (DE) 2016-03-22 US disclosed
EP-2500349-B1 Synthetic LTA mimetics and use thereof as vaccine component for therapy and/or prophylaxis against gram-positive infections Universitätsklinikum Freiburg (DE) 2015-05-06 EP disclosed
US-20140050741-A1 SYNTHETIC LTA MIMETICS AND USE THEREOF AS VACCINE COMPONENT FOR THERAPY AND/OR PROPHYLAXIS AGAINST GRAM-POSITIVE INFECTIONS UNIVERSITEIT LEIDEN (NL) 2014-02-20 US disclosed
EP-2500349-A1 Synthetic LTA mimetics and use thereof as vaccine component for therapy and/or prophylaxis against gram-positive infections Universitätsklinikum Freiburg (DE) 2012-09-19 EP disclosed
WO-2012119846-A1 SYNTHETIC LTA MIMETICS AND USE THEREOF AS VACCINE COMPONENT FOR THERAPY AND/OR PRO-PHYLAXIS AGAINST GRAM-POSITIVE INFECTIONS Universitätsklinikum Freiburg (DE) 2012-09-13 WO disclosed
CN-101501003-A Phenyl-pyrazole derivatives as non-steroidal glucocorticoid receptor ligands GLAXO GROUP LTD (GB) 2009-08-05 CN disclosed
US-5225590-A Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1993-07-06 US disclosed
EP-0187297-B1 ALKOXY METHYL ETHER AND ALKOXY METHYL ESTER DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1991-08-21 EP disclosed
EP-0187297-A2 Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1986-07-16 EP 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-20140050741-A1 SYNTHETIC LTA MIMETICS AND USE THEREOF AS VACCINE COMPONENT FOR THERAPY AND/OR PROPHYLAXIS AGAINST GRAM-POSITIVE INFECTIONS LTA, LTN1, LTC4S CYP1A2 4597/4885CYP2C9 4812/4885CYP2C19 4614/4885

“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.