SCHEMBL135579

SCHEMBL135579

CCOC(=O)CCC(=O)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
CYP1A2 P05177 1/20 0.52
ALDH1A1 P00352 5/20 0.48
TRPA1 O75762 1/20 0.48
SOAT1 P35610 1/20 0.46
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL16691682 0.98 GAA (0.50) GAAMGAMSIMGAM2CYP1A2
SCHEMBL6260925 0.98 GAA (0.50) GAAMGAMSIMGAM2CYP1A2
Ethylene SCHEMBL10805736 0.95 CYP1A2 (0.48) GAAMGAMSIMGAM2CYP1A2
SCHEMBL185784 0.90 GAA (0.57) GAAMGAMSIMGAM2CYP1A2
Succinic Acid Diethyl Ester SCHEMBL22780 0.87 GAA (0.67) GAAMGAMSIMGAM2CYP1A2
Succinic Acid Diethyl Ester SCHEMBL27768067 0.87 GAA (0.67) GAAMGAMSIMGAM2CYP1A2
SCHEMBL4807580 0.86 CYP1A2 (0.59) GAAMGAMSIMGAM2CYP1A2
SCHEMBL3947515 0.86 CYP1A2 (0.59) GAAMGAMSIMGAM2CYP1A2
SCHEMBL11053326 0.84 ALDH1A1 (0.57) GAAMGAMSIMGAM2CYP1A2
SCHEMBL6253597 0.84 CYP1A2 (0.57) GAAMGAMSIMGAM2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989690-A Preparation method of self-hydrophobic heat-insulation board surface layer 浙江工业大学 2022-09-02 CN claimed
US-20210123867-A1 METHOD FOR THE DETERMINATION OF FILM FORMING AMINES KURITA WATER INDUSTRIES LTD. (JP) 2021-04-29 US claimed
CN-107876092-A The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2018-04-06 CN claimed
CN-107417719-A A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2017-12-01 CN claimed
US-20160271896-A1 METHOD OF MANUFACTURING SOLE WITH SHOE NAIL MADE OF DIFFERENT MATERIAL YANG TENG-JEN (TW) 2016-09-22 US claimed
US-20160114546-A1 METHOD OF MANUFACTURING SOLE WITH SHOE NAIL MADE OF DIFFERENT MATERIAL YANG TENG-JEN (TW) 2016-04-28 US claimed
CN-105522738-A Method for manufacturing sole with shoe nails made of different materials YANG DENGREN 2016-04-27 CN claimed
CN-1193980-C Method for synthesizing stereoselectively and efficiently diphenyl butane lignan compound NO 1 HOSPITAL ATTACHED TO NO 3 (CN) 2005-03-23 CN claimed
CN-1405142-A Method for synthesizing stereoselectively and efficiently diphenyl butane lignan compound NO 1 HOSPITAL ATTACHED TO NO 3 (CN) 2003-03-26 CN claimed
US-4470881-A USING A HIGHER BOILING SOLVENT WHICH AFFECTS VOLATILITY DIFFERENTIAL AND DOES NOT FORM AN AZEOTROPE CELANESE CORPORATION (US) 1984-09-11 US claimed
EP-4041795-B1 BLOCKED ISOCYANATE POLYURETHANE COMPOSITIONS USING A NEW BLOCKING AGENT, METHOD OF MANUFACTURE AND USES THEREOF CROMOGENIA UNITS (ES) 2025-10-01 EP disclosed
US-12281101-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2025-04-22 US disclosed
US-20240140888-A1 COMPOSITION COMPRISING AN ALKANE AND AN OXOESTER BIOSYNTHIS (FR) 2024-05-02 US disclosed
EP-3760625-B1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES HOFFMANN LA ROCHE (CH) 2024-03-27 EP disclosed
WO-2024024438-A1 CLATHRATE COMPOUND AND METHOD FOR PRODUCING SAME, POLYMERIZABLE COMPOSITION, RESIN COMPOSITION, POLYMER, CURED PRODUCT, AND LAMINATE 富士フイルム株式会社 2024-02-01 WO disclosed
US-4555578-A Mercaptotetrazolylalkanohydroxamic acids, salts and ester thereof SHIONOGI & CO., LTD. (JP) 1985-11-26 US disclosed
US-4470881-A USING A HIGHER BOILING SOLVENT WHICH AFFECTS VOLATILITY DIFFERENTIAL AND DOES NOT FORM AN AZEOTROPE CELANESE CORPORATION (US) 1984-09-11 US disclosed
US-4470881-A USING A HIGHER BOILING SOLVENT WHICH AFFECTS VOLATILITY DIFFERENTIAL AND DOES NOT FORM AN AZEOTROPE CELANESE CORPORATION (US) 1984-09-11 US disclosed
US-4138586-A NITROALKANECARBOXYLIC ESTER WITH ALKALI HYDROXIDE, OZONIZING HOFFMANN-LA ROCHE INC. (US) 1979-02-06 US disclosed
US-3931322-A FROM GAMMA-KETOESTERS AND AN ALKALI METAL ALKOXIDE HOFFMANN-LA ROCHE INC. (US) 1976-01-06 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 (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-20240140888-A1 COMPOSITION COMPRISING AN ALKANE AND AN OXOESTER ALKBH2, ABHD12, FAAH2 GAA 4071/4885MGAM 2151/4885SI 3521/4885
US-12281101-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 GAA 968/4885MGAM 557/4885SI 664/4885

“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.