SCHEMBL3607061

SCHEMBL3607061

C=CCC(C(C)=O)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 4/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
MAPK1 P28482 1/20 0.37
MMP8 P22894 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GLO1 Q04760 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
Acetic Acid SCHEMBL28822001 0.96 MMP8 (0.37) ALDH1A1LMNAHSD17B10L3MBTL1MAPK1
SCHEMBL793641 0.90 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10L3MBTL1MAPK1
SCHEMBL1564401 0.86 CPA1 (0.40) ALDH1A1LMNAHSD17B10L3MBTL1MAPK1
Butane SCHEMBL18797012 0.86 TSHR (0.39) ALDH1A1LMNAHSD17B10L3MBTL1MAPK1
SCHEMBL4766772 0.84 TSHR (0.42) ALDH1A1HSD17B10TSHRGAATDP1
Ethyl Acetate SCHEMBL28822004 0.83 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL19284346 0.82 SOAT1 (0.37) ALDH1A1LMNAHSD17B10L3MBTL1MAPK1
SCHEMBL27863535 0.82 TSHR (0.44) ALDH1A1LMNAHSD17B10L3MBTL1MAPK1
SCHEMBL6664974 0.82 L3MBTL1 (0.39) ALDH1A1LMNAHSD17B10L3MBTL1MAPK1
SCHEMBL15218038 0.82 TSHR (0.50) ALDH1A1L3MBTL1NPSR1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118688344-A Gas phase detection method for twelve impurities in pentoxifylline starting material (5, 6-dihydro-3-ethoxycarbonyl-2-methyl-4H-pyran) 常州制药厂有限公司 2024-09-24 CN claimed
CN-102060754-A Method for preparing polysubstituted tetrahydropyridine UNIV NORTHWEST NORMAL 2011-05-18 CN claimed
WO-2003082821-A1 PROCESS FOR PRODUCING 2,6-DIHYDROXY-3,4-DIALKYLPYRIDINES ISP INVESTMENTS INC. (US) 2003-10-09 WO claimed
US-6624307-B1 Reacting 2-cyanoacetamide with sodium methoxide; condensation with ethyl 2-methylacetoacetate in methanol; salt formation to 2,6-dihdroxy-4,5-dimethyl-3-pyridinecabonitrile; hydrolysis, decarboxylation ISP INVESTMENTS INC. 2003-09-23 US claimed
US-20250152590-A1 NURR1:RXR ACTIVATING COMPOUNDS FOR SIMULTANEOUS TREATMENT OF SYMPTOMS AND PATHOLOGY OF PARKINSON'S DISEASE VASSILATIS DEMETRIOS K (GR) 2025-05-15 US disclosed
CN-118688344-A Gas phase detection method for twelve impurities in pentoxifylline starting material (5, 6-dihydro-3-ethoxycarbonyl-2-methyl-4H-pyran) 常州制药厂有限公司 2024-09-24 CN disclosed
EP-4029857-A1 NURR1:RXR ACTIVATING COMPOUNDS FOR SIMULTANEOUS TREATMENT OF SYMPTOMS AND PATHOLOGY OF PARKINSON'S DISEASE Vassilatis, Demetrios K. (GR) 2022-07-20 EP disclosed
EP-3365329-B1 NURR1:RXR ACTIVATING COMPOUNDS FOR SIMULTANEOUS TREATMENT OF SYMPTOMS AND PATHOLOGY OF PARKINSON'S DISEASE VASSILATIS DEMETRIOS K (GR) 2022-03-30 EP disclosed
US-20210186975-A1 NURR1:RXR ACTIVATING COMPOUNDS FOR SIMULTANEOUS TREATMENT OF SYMPTOMS AND PATHOLOGY OF PARKINSON'S DISEASE VASSILATIS DEMETRIOS K (GR) 2021-06-24 US disclosed
US-10946019-B2 Nurr1:RXR activating compounds for simultaneous treatment of symptoms and pathology of Parkinson's disease VASSILATIS DEMETRIOS K (GR) 2021-03-16 US disclosed
CN-107873031-B Benzoxazinone derivatives and analogs thereof as modulators of TNF activity UCB生物制药私人有限公司 2021-03-12 CN disclosed
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 EP disclosed
WO-1993008169-A1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSINE II ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-29 WO disclosed
US-4551457-A GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS FARMITALIA CARLO ERBA, S.P.A. (IT) 1985-11-05 US disclosed
US-4444773-A ANTIULCER, ANTISECRETORY, ANTIINFLAMMATORY FARMITALIA CARLO ERBA S.P.A. (IT) 1984-04-24 US disclosed
US-4245122-A USING TRICAPRYLMETHYLAMMONIUM CHLORIDE AS A PHASE TRANSFER AGENT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-01-13 US disclosed
US-4081596-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1978-03-28 US disclosed
US-4005215-A DIURETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 US disclosed
US-3978077-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (GB) 1976-08-31 US disclosed
US-3957814-A DIURETICS, SALURETICS, HYPOTENSIVE AGENTS, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 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 (3 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-20250152590-A1 NURR1:RXR ACTIVATING COMPOUNDS FOR SIMULTANEOUS TREATMENT OF SYMPTOMS AND PATHOLOGY OF PARKINSON'S DISEASE NR4A2, NR0B1, NCOR1 ALDH1A1 1790/4885LMNA 4531/4885HSD17B10 2860/4885
US-20210186975-A1 NURR1:RXR ACTIVATING COMPOUNDS FOR SIMULTANEOUS TREATMENT OF SYMPTOMS AND PATHOLOGY OF PARKINSON'S DISEASE NR4A2, NR0B1, NR4A3 ALDH1A1 1716/4885LMNA 4486/4885HSD17B10 2977/4885
US-10946019-B2 Nurr1:RXR activating compounds for simultaneous treatment of symptoms and pathology of Parkinson's disease NR4A2, NR0B1, NR4A3 ALDH1A1 1716/4885LMNA 4486/4885HSD17B10 2977/4885

“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.