SCHEMBL451401

SCHEMBL451401

CCCCOC(=O)OCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ATM Q13315 1/20 0.47
TSHR P16473 7/20 0.44
HPGD P15428 2/20 0.44
HCAR2 Q8TDS4 1/20 0.41
NAAA Q02083 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS1 P23219 1/20 0.39
APEX1 P27695 1/20 0.39
THPO P40225 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39

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
Ammonia Solution, Strong SCHEMBL27742278 0.98 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
Chloromethane SCHEMBL27516270 0.96 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL4922984 0.94 NAAA (0.48) ALDH1A1ATMTSHRHCAR2NAAA
SCHEMBL10087800 0.92 NAAA (0.52) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL10087798 0.92 NAAA (0.52) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL10087794 0.92 NAAA (0.52) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL6897799 0.92 NAAA (0.52) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL10087793 0.92 NAAA (0.52) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL10087797 0.92 NAAA (0.52) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL21451307 0.92 NAAA (0.52) ALDH1A1TSHRHCAR2NAAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103214409-B The synthesis of tsiklomitsin and analogue thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-10-21 CN claimed
CN-102149675-B Reagents and methods for the synthesis of beta-ketoamide as a precursor to the synthesis of immune adjuvant E6020 EISAI R&D MAN CO LTD 2014-08-20 CN claimed
CN-103224474-A Synthesis of tetracyclines and analogues thereof HARVARD COLLEGE 2013-07-31 CN claimed
CN-103030657-A Preparation method of electrolyte double-oxalate based lithium borate for lithium ion battery FUJIAN MATTER STRUCTURE 2013-04-10 CN claimed
CN-101027279-B Synthesis of tetracyclines and analogues thereof HARVARD COLLEGE 2013-03-27 CN claimed
CN-102149675-A Reagents and methods for the synthesis of beta-ketoamide as a precursor to the synthesis of immune adjuvant E6020 EISAI R&D MAN CO LTD 2011-08-10 CN claimed
CN-1224426-A 3-descladinose-2, 3-anhydroerythromycin derivatives ABBOTT LAB (US) 1999-07-28 CN claimed
CN-1175982-A Modifier for aldoxime extractant of metal useful component HENKEL CORP (US) 1998-03-11 CN claimed
WO-2025119860-A1 LIQUID AGROCHEMICAL FORMULATIONS COMPRISING FLUPYRADIFURONE BAYER AKTIENGESELLSCHAFT (DE) 2025-06-12 WO disclosed
EP-3771014-B1 NONAQUEOUS ELECTROLYTE SOLUTION FOR POWER STORAGE DEVICES TOMIYAMA PURE CHEMICAL INDUSTRIES LTD (JP) 2025-03-05 EP disclosed
US-12155037-B2 Nonaqueous electrolyte solution for power storage devices TOMIYAMA PURE CHEMICAL INDUSTRIES, LTD. (JP) 2024-11-26 US disclosed
US-12107226-B2 Electrolyte for power storage devices and nonaqueous electrolyte solution TOMIYAMA PURE CHEMICAL INDUSTRIES, LTD. (JP) 2024-10-01 US disclosed
US-20240131180-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2024-04-25 US disclosed
EP-4025253-B1 DRUG ANTIBODY CONJUGATES PHARMA MAR SA (ES) 2024-03-20 EP disclosed
CN-1066656-A The Pyridione derivatives that amino acid azelidinyl replaces, its preparation method and as the application of medicine ESTEVE LABOR DR (ES) 1992-12-02 CN disclosed
EP-0503785-A1 1-Biphenylimidazole derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1992-09-16 EP disclosed
CN-1013201-B PROCESSES OF BULK POLYMERIZATION FOR PREPARING POLYMERS OR COPOLYMERS BASED ON CHLORO ETHELENE ATOCHEM (FR) 1991-07-17 CN disclosed
CN-1011700-B PROCESS FOR PREPN. OF VINYL CHLORIDE HOMO-AND COPOLYMERS IN SEEDED MICROSUSPESION ATOCHEM (FR) 1991-02-20 CN disclosed
CN-88100289-A With vinylchlorid is the mass polymerization production method of the polymkeric substance and the multipolymer of main component 1988-12-07 CN disclosed
CN-87108041-A The method that in the inoculation fine suspension, prepares ryuron and multipolymer 1988-06-08 CN 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-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL ALDH1A1 785/4885ATM 3058/4885TSHR 1530/4885
US-12155037-B2 Nonaqueous electrolyte solution for power storage devices AQP1, NCS1, SLC9A1 ALDH1A1 1681/4885ATM 772/4885TSHR 4237/4885

“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.