SCHEMBL6180806

SCHEMBL6180806

CCOC(=O)CC(=O)C(C)Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
MGAM O43451 1/20 0.58
SI P14410 1/20 0.58
MGAM2 Q2M2H8 1/20 0.58
ALDH1A1 P00352 4/20 0.43
TRPA1 O75762 1/20 0.43
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
SOAT1 P35610 1/20 0.36

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
Malonic Acid Diethyl Ester SCHEMBL7792998 0.96 GAA (0.60) GAAMGAMSIMGAM2ALDH1A1
Potassium Ion SCHEMBL7793002 0.89 GAA (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28009465 0.84 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10185937 0.83 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL182126 0.82 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28885358 0.82 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2576619 0.81 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27842787 0.81 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10595482 0.81 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28825664 0.80 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118405976-A Synthesis method of fluoro propionyl ethyl acetate 张克珍 2024-07-30 CN disclosed
CN-118307408-A Preparation method of ethyl 2-fluoropropionylacetate 上海恩氟佳科技有限公司 2024-07-09 CN disclosed
CN-107987024-B Pyrimidine amine compound with biological activity and preparation method thereof 湖南化工研究院有限公司 2020-08-14 CN disclosed
CN-111217758-A Preparation method of 6-ethyl-5-fluoro-4-chloropyrimidine 湖南复瑞生物医药技术有限责任公司 2020-06-02 CN disclosed
CN-102939290-B 2,3-dihydro-1H-indenes-1-base-2,7-diaza spiro [3.5] nonane derivatives and as the antagonist of growth hormone-releasing peptide acceptor or the purposes of inverse agonist PFIZER INC. (US) 2015-09-16 CN disclosed
US-20050239797-A1 Isoquinoline and quinazoline derivatives having a combined 5HT1A, 5HT1B, and 5HT1D receptor activity SMITHKLINE BEECHAM, PLC 2005-10-27 US disclosed
EP-1228043-B1 ISOQUINOLINE AND QUINAZOLINE DEIVATIVES HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2005-01-12 EP disclosed
US-6579871-B2 Phenyl oxazoles or thiazoles ELI LILLY AND COMPANY 2003-06-17 US disclosed
EP-0971709-B1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS LILLY CO ELI (US) 2003-05-21 EP disclosed
US-20030050311-A1 Methods of using novel compounds as neuro-protective agents PANETTA JILL ANN (US) 2003-03-13 US disclosed
WO-1999009979-A1 METHOD FOR TREATING NEUROPATHIC PAIN ELI LILLY AND COMPANY (US) 1999-03-04 WO disclosed
WO-1999009829-A1 METHOD FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1999-03-04 WO disclosed
WO-1999009980-A1 METHOD FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1999-03-04 WO disclosed
WO-1998015274-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
US-5260285-A Substituted imidazopyridazines as angiotensin II antagonists MERCK & CO., INC. (US) 1993-11-09 US disclosed
US-5250521-A Administering in treatment of eleuated blood pressure, conjestive heart failure and ocular hypertension MERCK & CO., INC. (US) 1993-10-05 US disclosed
EP-0490587-A1 Substituted pyrazolopyrimidines and imidazopyridazines as angiotensin II antagonists MERCK & CO. INC. (US) 1992-06-17 EP disclosed
EP-0168950-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-01-11 EP disclosed
US-4769386-A Imidazolylthioalkenoic acids and -alkenols and leukotriene antagonistic composition containing them SMITHKLINE BECKMAN CORPORATION (US) 1988-09-06 US disclosed
EP-0168950-A1 Leukotriene antagonists SMITHKLINE BECKMAN CORPORATION (US) 1986-01-22 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-20050239797-A1 Isoquinoline and quinazoline derivatives having a combined 5HT1A, 5HT1B, and 5HT1D receptor activity HTR1B, HTR1A, HTR1D GAA 2898/4885MGAM 4433/4885SI 2327/4885
US-20030050311-A1 Methods of using novel compounds as neuro-protective agents NLN, GAP43, TXN2 GAA 3203/4885MGAM 4580/4885SI 4392/4885

“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.