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SCHEMBL925084

SCHEMBL925084

Cn1c(=O)c2[nH]c(CCCC(=O)O)nc2n(C)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.92
▸ CYP2C19 P33261 4/20 0.92
▸ CYP1A2 P05177 1/20 0.92
▸ POLB P06746 2/20 0.66
▸ CYP3A4 P08684 3/20 0.64
▸ ALOX15 P16050 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ NR2F2 P24468 1/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ CASP1 P29466 1/20 0.57
▸ CASP7 P55210 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.53
▸ PABPC1 P11940 1/20 0.52

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
SCHEMBL9853204 0.95 ALDH1A1 (0.97) ALDH1A1CYP2C19CYP1A2POLBCYP3A4
SCHEMBL3389758 0.92 ALDH1A1 (0.82) ALDH1A1CYP2C19CYP1A2POLBCYP3A4
SCHEMBL5717642 0.89 ALDH1A1 (0.74) ALDH1A1CYP2C19CYP1A2POLBCYP3A4
SCHEMBL21765989 0.86 POLB (0.77) ALDH1A1CYP2C19CYP1A2POLBCYP3A4
SCHEMBL6243622 0.85 ALDH1A1 (0.71) ALDH1A1CYP2C19CYP1A2POLBCYP3A4
SCHEMBL16029602 0.84 ALDH1A1 (0.67) ALDH1A1CYP2C19CYP1A2POLBCYP3A4
SCHEMBL10652432 0.83 ALDH1A1 (0.74) ALDH1A1CYP2C19CYP1A2POLBCYP3A4
SCHEMBL340194 0.83 ALDH1A1 (0.69) ALDH1A1CYP2C19CYP1A2POLBCYP3A4
SCHEMBL9406540 0.83 POLB (0.83) ALDH1A1CYP2C19CYP1A2POLBCYP3A4
SCHEMBL19969306 0.82 ALDH1A1 (0.72) ALDH1A1CYP2C19CYP1A2POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100203001-A1 PROCESS FOR FORMING DISULFIDE BRIDGES APLAGEN GMBH (DE) 2010-08-12 — — US claimed
US-20090081145-A1 PROCESS FOR FORMING DISULPHIDE BRIDGES APLAGEN GMBH (DE) 2009-03-26 — — US claimed
US-20050148067-A1 Materials and methods for binding nucleic acids to surfaces LYLES MARK B (US) 2005-07-07 — — US claimed
US-6855817-B2 Materials and methods for binding nucleic acids to surfaces LYLES MARK B (US) 2005-02-15 — — US claimed
US-20020103350-A1 Materials and methods for binding nucleic acids to surfaces LYLES MARK B (US) 2002-08-01 — — US claimed
EP-0446245-B1 ELECTROCHEMILUMINESCENT ASSAYS IGEN INT INC (US) 1999-05-12 — — EP claimed
EP-0757252-A2 Electrochemiluminescent assays IGEN, INC. (US) 1997-02-05 — — EP claimed
US-4760142-A Divalent hapten derivatives HOECHST CELANESE CORPORATION (US) 1988-07-26 — — US claimed
US-20220202821-A1 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-06-30 — — US disclosed
WO-2020205646-A2 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-08 — — WO disclosed
US-20200232005-A1 Methods of Producing and Using Single-Stranded Deoxyribonucleic Acids and Compositions for Use in Practicing the Same TAKARA BIO USA, INC. 2020-07-23 — — US disclosed
US-10584363-B2 Methods of producing and using single-stranded deoxyribonucleic acids and compositions for use in practicing the same TAKARA BIO USA, INC. (US) 2020-03-10 — — US disclosed
EP-3283638-A1 METHODS FOR DETECTING AGGLUTINATION AND COMPOSITIONS FOR USE IN PRACTICING THE SAME The Regents of The University of California (US) 2018-02-21 — — EP disclosed
US-20170349927-A1 METHODS OF PRODUCING AND USING SINGLE-STRANDED DEOXYRIBONUCLEIC ACIDS AND COMPOSITIONS FOR USE IN PRACTICING THE SAME TAKARA BIO USA, INC. 2017-12-07 — — US disclosed
EP-0069281-A1 Multilayer analytical element; method for its preparation and its use in analytical methods MILES INC. (US) 1983-01-12 — — EP disclosed
US-4363874-A RADIOIMMUNOASSAY DIAGNOSIS MILES LABORATORIES, INC. (US) 1982-12-14 — — US disclosed
US-4331590-A β-Galactosyl-umbelliferone-labeled protein and polypeptide conjugates MILES LABORATORIES, INC. (US) 1982-05-25 — — US disclosed
US-4318981-A Homogeneous specific binding assay employing an intramolecularly modulated photogenic enzyme substrate label MILES LABORATORIES, INC. (US) 1982-03-09 — — US disclosed
US-4302438-A Antigen, antiserum and immunoassay for theophylline BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-11-24 — — US disclosed
US-4279992-A Specific binding assay employing an enzyme-cleavable substrate as label MILES LABORATORIES, INC. (US) 1981-07-21 — — 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-20220202821-A1 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF PARG, PARP15, PLG ALDH1A1 4146/4885CYP2C19 1687/4885CYP1A2 3113/4885
US-20090081145-A1 PROCESS FOR FORMING DISULPHIDE BRIDGES SPR, P4HB, SCLY ALDH1A1 1452/4885CYP2C19 2250/4885CYP1A2 1211/4885
US-20100203001-A1 PROCESS FOR FORMING DISULFIDE BRIDGES SCLY, P4HB, CBS ALDH1A1 1532/4885CYP2C19 1498/4885CYP1A2 811/4885

“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.