SCHEMBL1012864

SCHEMBL1012864

CCOC(=O)C(C(C)=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
PIN1 Q13526 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPA1 O75762 1/20 0.36
GLO1 Q04760 1/20 0.35
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL26302 0.87 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL662792 0.87 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL123766 0.87 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28163656 0.87 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28190143 0.85 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28266492 0.83 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL29866763 0.83 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL10880659 0.80 ALDH1A1 (0.56) ALDH1A1LMNAHCAR2MAPTCYP2D6
SCHEMBL23255870 0.80 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL26657820 0.80 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10ALOX15MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101747336-B Novel method for synthesizing Repirinast JIANGSU JUMPCAN MEDICINES CO LTD 2012-07-18 CN claimed
US-4064122-A Hydroxy-substituted cephalosporins ISHIMARU TOSHIYASU 1977-12-20 US claimed
JP-7267942-A None JP disclosed
US-20220054658-A1 CONJUGATES TRANSFECTION HOLDINGS LIMITED (NZ) 2022-02-24 US disclosed
EP-3897737-A1 CONJUGATES Transfection Holdings Limited (NZ) 2021-10-27 EP disclosed
WO-2020127602-A1 CONJUGATES TRANSFECTION HOLDINGS LIMITED (NZ) 2020-06-25 WO disclosed
CN-101747336-B Novel method for synthesizing Repirinast JIANGSU JUMPCAN MEDICINES CO LTD 2012-07-18 CN disclosed
EP-1118674-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE TROPINONE MONOCARBOXYLIC ACID DERIVATIVE NIHON MEDIPHYSICS CO LTD (JP) 2011-01-05 EP disclosed
US-6660863-B2 Reacting an cycloheptatriene nitrile compound with nortropane compound NIHON MEDI-PHYSICS CO., LTD. (JP) 2003-12-09 US disclosed
US-6596868-B2 Reacting a cycloheptatriene derivative with a primary amine or ammonia in the presence of a base NIHON MEDI-PHYSICS CO., LTD. (JP) 2003-07-22 US disclosed
US-20030109708-A1 Process for synthesizing anhydroecgonine derivative NIHON MEDI-PHYSICS CO., LTD. 2003-06-12 US disclosed
US-6486323-B1 Process for producing optically active tropinonemonocarboxylic acid derivative NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-11-26 US disclosed
US-20010020096-A1 Process for synthesizing anhydroecgonine derivative NIHON MEDI-PHYSICS CO., LTD. (JP) 2001-09-06 US disclosed
EP-1127887-A1 Process for synthesizing anhydroecgonine derivative NIHON MEDI-PHYSICS Co., Ltd. (JP) 2001-08-29 EP disclosed
EP-1118674-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE TROPINONE MONOCARBOXYLIC ACID DERIVATIVE Nihon Medi-Physics Co., Ltd. (JP) 2001-07-25 EP disclosed
JP-H07267942-A BIS(3-(4-SUBSTITUTED COUMARYL))KETONE COMPOUND AND PHOTOSENSITIZER MITSUI TOATSU CHEM INC 1995-10-17 JP disclosed
EP-0022482-B1 PROCESS FOR PREPARING 4-HYDROXY-3-METHYL-2-(2-PROPYNYL)-2-CYCLOPENTENOLONE; A GAMMA-DIKETONE COMPOUND AND SUBSTITUTED ACETONEDICARBOXYLIC ESTERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-09-14 EP disclosed
US-4343953-A STARTING WITH A 3-OXO-GLUTARATE AND 3-CHLOROPROPYNE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-08-10 US disclosed
EP-0022482-A2 Process for preparing 4-hydroxy-3-methyl-2-(2-propynyl)-2-cyclopentenolone; a gamma-diketone compound and substituted acetonedicarboxylic esters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-01-21 EP disclosed
US-4102688-A CONTAINING PYRAZOLO(3,4-B)PYRIDINE/3,6-DIONE MOIETY FUJI PHOTO FILM CO., LTD. (JP) 1978-07-25 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-20030109708-A1 Process for synthesizing anhydroecgonine derivative CES2, NPR1, OPRL1 ALDH1A1 739/4885LMNA 3660/4885HSD17B10 462/4885
US-20220054658-A1 CONJUGATES RTN3, RER1, HRH4 ALDH1A1 74/4885LMNA 1704/4885HSD17B10 752/4885
US-20010020096-A1 Process for synthesizing anhydroecgonine derivative CES2, NPR1, OPRL1 ALDH1A1 739/4885LMNA 3660/4885HSD17B10 462/4885

“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.