SCHEMBL4615654

SCHEMBL4615654

C=CCc1ncccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 7/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALOX15 P16050 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
AGER Q15109 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NAPRT Q6XQN6 2/20 0.49
LMNA P02545 2/20 0.49
CYP2C9 P11712 1/20 0.46
DHODH Q02127 2/20 0.42
TP53 P04637 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 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
SCHEMBL7083112 0.85 PARP1 (0.47) KDM4ETDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29900286 0.83 ALDH1A1 (0.35) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL17714447 0.81 L3MBTL1 (0.50) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL22800090 0.79 KDM4E (0.44) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL5252687 0.78 KDM4E (0.59) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL3880000 0.78 KDM4E (0.59) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL242926 0.77 SMN1; SMN2 (0.58) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL123202 0.77 KDM4E (0.57) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL2782918 0.77 KDM4E (0.62) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL14515519 0.77 KDM4E (0.57) KDM4ETDP1ALDH1A1L3MBTL1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150297761-A1 PEPTIDIC STRUCTURES INCORPORATING AN AMINO ACID METAL COMPLEX AND APPLICATIONS IN MAGNETIC RESONANCE IMAGING NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-10-22 US claimed
WO-2014075079-A1 PEPTIDIC STRUCTURES INCORPORATING AN AMINO ACID METAL COMPLEX AND APPLICATIONS IN MAGNETIC RESONANCE IMAGING THE GENERAL HOSPITAL CORPORATION (US) 2014-05-15 WO claimed
EP-1363886-B1 PROCESS AND CATALYST FOR THE PREPARATION OF ACETYLPYRIDINES LONZA AG (CH) 2008-06-04 EP claimed
CN-108192655-B Method for extracting and removing sulfur-containing compounds in crude oil 中国石油大学(华东) 2020-03-10 CN disclosed
US-20150297761-A1 PEPTIDIC STRUCTURES INCORPORATING AN AMINO ACID METAL COMPLEX AND APPLICATIONS IN MAGNETIC RESONANCE IMAGING NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-10-22 US disclosed
WO-2014075079-A1 PEPTIDIC STRUCTURES INCORPORATING AN AMINO ACID METAL COMPLEX AND APPLICATIONS IN MAGNETIC RESONANCE IMAGING THE GENERAL HOSPITAL CORPORATION (US) 2014-05-15 WO disclosed
US-20080287492-A1 Alkylpyridyl Quinolines as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-20 US disclosed
EP-1915361-A1 ALKYLPYRIDYL QUINOLINES AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007018466-A1 ALKYLPYRIDYL QUINOLINES AS NK3 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
US-7081503-B2 Process producing vinyl polymer having alkenyl group at end, vinyl polymer, and curable composition KANEKA CORPORATION (JP) 2006-07-25 US disclosed
US-7009004-B2 Process for producing vinyl polymer having alkenyl group at end vinyl polymer and curable composition KANEKA CORPORATION (JP) 2006-03-07 US disclosed
US-20040097678-A1 Process for producing vinyl polymer having alkenyl group at end vinyl polymer and curable composition KANEKA CORPORATION (JP) 2004-05-20 US disclosed
EP-1375531-A1 PROCESS FOR PRODUCING VINYL POLYMER HAVING ALKENYL GROUP AT END, VINYL POLYMER, AND CURABLE COMPOSITION KANEKA CORPORATION (JP) 2004-01-02 EP disclosed
US-5808067-A Process for preparing pyridine and quinoline derivatives HOECHST CELANESE CORPORATION (US) 1998-09-15 US disclosed
US-5405987-A N-hydroxyaspartic acid derivatives; chemical intermediates HOECHST CELANESE CORPORATION (US) 1995-04-11 US disclosed
US-5322948-A Reacting unsaturated diacid or derivative with hydroxylamine or a salt thereof to form N-hydroxy-2-aminobutane diacid derivative HOECHST CELANESE CORPORATION (US) 1994-06-21 US disclosed
EP-0511446-A2 Process for preparing pyridinecarboxylic acid derivatives HOECHST CELANESE CORPORATION (US) 1992-11-04 EP disclosed
EP-0456504-A2 Process for preparing pyridinecarboxylic acid derivatives HOECHST CELANESE CORPORATION (US) 1991-11-13 EP disclosed
EP-0452094-A2 A method of the preparation of N-hydroxy aspartic acid derivate HOECHST CELANESE CORPORATION (US) 1991-10-16 EP disclosed
EP-0415767-A2 Process for preparing pyridine carboxylic acid derivatives HOECHST CELANESE CORPORATION (US) 1991-03-06 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 (2 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-20150297761-A1 PEPTIDIC STRUCTURES INCORPORATING AN AMINO ACID METAL COMPLEX AND APPLICATIONS IN MAGNETIC RESONANCE IMAGING ARGLU1, CA1, SSTR3 KDM4E 2787/4885TDP1 2691/4885ALDH1A1 4165/4885
US-20080287492-A1 Alkylpyridyl Quinolines as Nk3 Receptor Modulators ADORA3, KCNA3, TACR1 KDM4E 1449/4885TDP1 3968/4885ALDH1A1 2243/4885

“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.