SCHEMBL1966274

SCHEMBL1966274

[CH2]C(C)OC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
TP53 P04637 1/20 0.59
PDCD1 Q15116 1/20 0.56
CD274 Q9NZQ7 1/20 0.56
LMNA P02545 5/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 2/20 0.53
F2 P00734 1/20 0.52
MAPT P10636 3/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
XBP1 P17861 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL3026427 1.00 TSHR (0.59) TSHRTP53PDCD1CD274LMNA
SCHEMBL1172246 1.00 TSHR (0.59) TSHRTP53PDCD1CD274LMNA
SCHEMBL27881030 0.83 SMN1; SMN2 (0.48) TSHRTP53PDCD1CD274NPC1
SCHEMBL10239104 0.83 TSHR (0.63) TSHRTP53PDCD1CD274LMNA
SCHEMBL6660758 0.83 TSHR (0.63) TSHRTP53PDCD1CD274LMNA
SCHEMBL29311500 0.83 TSHR (0.63) TSHRTP53PDCD1CD274LMNA
Benzoic Acid 1-Methylethyl Ester SCHEMBL96918 0.83 PDCD1 (0.78) TSHRTP53PDCD1CD274LMNA
SCHEMBL13700339 0.83 TSHR (0.63) TSHRTP53PDCD1CD274LMNA
SCHEMBL10698829 0.83 TSHR (0.63) TSHRTP53PDCD1CD274LMNA
SCHEMBL13625602 0.83 TSHR (0.63) TSHRTP53PDCD1CD274LMNA

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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114394970-A Ester Furimazine derivative, preparation method and application thereof 山东大学 2022-04-26 CN claimed
EP-2887934-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS XenoPort, Inc. (US) 2015-07-01 EP claimed
US-8778991-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2014-07-15 US claimed
WO-2014031901-A1 METHODS OF USE FOR MONOMETHYL FUMARATE AND PRODRUGS THEREOF XENOPORT, INC. (US) 2014-02-27 WO claimed
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof XENOPORT, INC. (US) 2014-02-27 US claimed
WO-2014031844-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS XENOPORT, INC. (US) 2014-02-27 WO claimed
EP-2650279-A2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XenoPort, Inc. (US) 2013-10-16 EP claimed
EP-2515876-A2 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF A LEVODOPA PRODRUG AND METHODS OF USE XenoPort, Inc. (US) 2012-10-31 EP claimed
US-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2012-06-21 US claimed
WO-2010022177-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 WO claimed
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 US claimed
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. 2008-07-17 US claimed
WO-2008079387-A1 CATECHOL PROTECTED LEVODOPA DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2008-07-03 WO claimed
US-4960873-A 3-pyridylisothiazoleazo compounds useful as disperse dyes BASF AKTIENGESELLSCHAFT (DE) 1990-10-02 US claimed
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2024-07-18 US disclosed
CN-118109069-A Resin composition, cured product, and method for producing cured product 东京应化工业株式会社 2024-05-31 CN disclosed
CN-118108899-A Curable resin composition, cured product, and method for producing cured product 东京应化工业株式会社 2024-05-31 CN disclosed
EP-0109937-A2 Colour-photographic recording material CIBA-GEIGY AG (CH) 1984-05-30 EP disclosed
US-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed
US-4113720-A Disperse azo dye with diaminopyrimidine coupling component BASF AKTIENGESELLSCHAFT (DE) 1978-09-12 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 (5 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-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 TSHR 3968/4885TP53 963/4885PDCD1 3495/4885
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof FH, FAH, DHFR TSHR 4601/4885TP53 296/4885PDCD1 4755/4885
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 TSHR 4809/4885TP53 944/4885PDCD1 2501/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 TSHR 3968/4885TP53 963/4885PDCD1 3495/4885
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use COMT, PARK7, DDT TSHR 3809/4885TP53 2133/4885PDCD1 1900/4885

“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.