SCHEMBL12573003

SCHEMBL12573003

O=[N+]([O-])c1ccccc1COCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.43
MAOB P27338 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
ACHE P22303 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
KDM1A O60341 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL29483215 1.00 ALDH1A1 (0.47) ALDH1A1HTTTSHRHPGDMAOB
SCHEMBL29483214 1.00 ALDH1A1 (0.47) ALDH1A1HTTTSHRHPGDMAOB
SCHEMBL20126810 0.82 ALDH1A1 (0.49) ALDH1A1HTTTSHRHPGDMAOB
SCHEMBL7195787 0.81 HSD17B10 (0.61) ALDH1A1TSHRL3MBTL1PRMT5WDR77
SCHEMBL732958 0.81 TDP1 (0.52) ALDH1A1TSHRHPGDTDP1KMT2A
SCHEMBL77922 0.81 ALDH1A1 (0.62) ALDH1A1HTTTSHRHPGDMAOB
SCHEMBL8818395 0.80 ALDH1A1 (0.53) ALDH1A1HTTTSHRHPGDL3MBTL1
SCHEMBL4872833 0.80 ALDH1A1 (0.53) ALDH1A1HTTTSHRHPGDL3MBTL1
Nitrophenolate SCHEMBL28467659 0.79 GPR35 (0.42) ALDH1A1L3MBTL1PRMT5WDR77TDP1
SCHEMBL8539484 0.77 ALDH1A1 (0.58) ALDH1A1HTTTSHRHPGDMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110366434-B Functionalized poly (propylene fumarate) polymers prepared by ring opening polymerization using magnesium catalysts 阿克伦大学 2022-04-05 CN claimed
WO-2018144849-A1 FUNCTIONALIZED POLY(PROPYLENE FUMARATE) POLYMERS MADE BY RING OPENING POLYMERIZATION USING MAGNESIUM CATALYSTS THE UNIVERSITY OF AKRON (US) 2018-08-09 WO claimed
US-11499008-B2 Functionalized poly (propylene fumarate) polymers made by ring opening polymerization using magnesium catalysts UNIVERSITY OF AKRON (US) 2022-11-15 US disclosed
CN-110366434-B Functionalized poly (propylene fumarate) polymers prepared by ring opening polymerization using magnesium catalysts 阿克伦大学 2022-04-05 CN disclosed
WO-2018144849-A1 FUNCTIONALIZED POLY(PROPYLENE FUMARATE) POLYMERS MADE BY RING OPENING POLYMERIZATION USING MAGNESIUM CATALYSTS THE UNIVERSITY OF AKRON (US) 2018-08-09 WO disclosed
WO-2018144849-A1 FUNCTIONALIZED POLY(PROPYLENE FUMARATE) POLYMERS MADE BY RING OPENING POLYMERIZATION USING MAGNESIUM CATALYSTS THE UNIVERSITY OF AKRON (US) 2018-08-09 WO disclosed
US-9701679-B2 Modulators of 5-HT receptors and methods of use thereof Abb Vie Deutschland GmbH & Co. KG (DE) 2017-07-11 US disclosed
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-25 US disclosed
US-8846663-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2013-11-21 US disclosed
US-8546377-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-10-01 US disclosed
US-8518933-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-08-27 US disclosed
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-06-02 US disclosed
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 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 (4 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-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D ALDH1A1 1176/4885HTT 1786/4885TSHR 219/4885
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D ALDH1A1 1176/4885HTT 1786/4885TSHR 219/4885
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D ALDH1A1 1176/4885HTT 1786/4885TSHR 219/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D ALDH1A1 1176/4885HTT 1786/4885TSHR 219/4885

“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.