SCHEMBL2544758

SCHEMBL2544758

CCCCOC(=O)O[CH]c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
FAAH O00519 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
ELANE P08246 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL2906456 0.90 LMNA (0.51) TSHRTDP1L3MBTL1ALDH1A1TP53
SCHEMBL365814 0.84 TDP1 (0.53) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL2900868 0.83 MEN1 (0.56) TSHRL3MBTL1ALDH1A1MAPK1KDM4E
SCHEMBL7005225 0.77 TSHR (0.47) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL9595722 0.77 TDP1 (0.55) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL7945226 0.77 TDP1 (0.49) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL6622376 0.77 MEN1 (0.50) TDP1L3MBTL1KDM4ELMNARECQL
SCHEMBL5675140 0.77 TSHR (0.54) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
Phenol SCHEMBL2362180 0.76 TSHR (0.59) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL15673155 0.75 KMT2A (0.70) TSHRTDP1L3MBTL1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8994016-B2 Dielectric layer for an electronic device XEROX CORPORATION (US) 2015-03-31 US disclosed
US-20130331512-A1 DIELECTRIC LAYER FOR AN ELECTRONIC DEVICE XEROX CORPORATION (US) 2013-12-12 US disclosed
US-8513650-B2 Dielectric layer for an electronic device XEROX CORPORATION (US) 2013-08-20 US disclosed
US-8425808-B2 Semiconducting composition XEROX CORPORATION (US) 2013-04-23 US disclosed
US-20110260114-A1 SEMICONDUCTING COMPOSITION XEROX CORPORATION (US) 2011-10-27 US disclosed
US-20100301344-A1 DIELECTRIC LAYER FOR AN ELECTRONIC DEVICE XEROX CORPORATION (US) 2010-12-02 US disclosed
EP-2256797-A2 Dielectric layer for an electronic device Xerox Corporation (US) 2010-12-01 EP disclosed
EP-2217564-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2010-08-18 EP disclosed
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-19 US disclosed
WO-2009033054-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-03-12 WO 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-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, SLC19A1, SLC25A21 TSHR 2112/4885TDP1 2099/4885L3MBTL1 4678/4885

“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.