SCHEMBL2912889

SCHEMBL2912889

COC(=O)C(C(C)=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 1/20 0.37
KMT2A Q03164 2/20 0.37
CA14 Q9ULX7 2/20 0.34
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
CA12 O43570 1/20 0.32
MME P08473 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL1335337 0.86 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1ALOX15KMT2ACA14
SCHEMBL932950 0.86 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1ALOX15KMT2ACA14
Hydrochloric Acid SCHEMBL11145353 0.83 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KMT2ACA14MMP2
SCHEMBL26657825 0.78 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1KMT2ACA14MMP2
SCHEMBL26657839 0.78 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1KMT2ACA14MMP2
SCHEMBL269877 0.76 FFAR3 (0.43) ALDH1A1ALOX15KMT2ATP53
SCHEMBL422851 0.76 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KMT2ACA14MMP2
SCHEMBL28523 0.76 FFAR3 (0.43) ALDH1A1ALOX15KMT2ATP53
SCHEMBL1012864 0.75 ALDH1A1 (0.46) ALDH1A1ALOX15KMT2AMGAMGAA
SCHEMBL25278592 0.74 FFAR3 (0.40) ALDH1A1ALOX15KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4064122-A Hydroxy-substituted cephalosporins ISHIMARU TOSHIYASU 1977-12-20 US claimed
JP-7316147-A None JP disclosed
US-20210069173-A1 PREPARATION OF (-)-COCAINE HYDROCHLORIDE ALTER DOMUS (US) LLC 2021-03-11 US disclosed
WO-2019143508-A1 PREPARATION OF (-)-COCAINE HYDROCHLORIDE CODY LABORATORIES, INC. (US) 2019-07-25 WO disclosed
US-20190224185-A1 PREPARATION OF (-)-COCAINE HYDROCHLORIDE CODY LABORATORIES, INC. 2019-07-25 US disclosed
US-20190224184-A1 PREPARATION OF (-)-COCAINE HYDROCHLORIDE ALTER DOMUS (US) LLC 2019-07-25 US disclosed
US-20110065920-A1 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES RATIOPHARM GMBH (DE) 2011-03-17 US disclosed
US-7855296-B1 Method for synthesizing 2-carbomethoxytropinone CODY LABORATORIES, INC. (US) 2010-12-21 US disclosed
EP-2223909-A1 Process for preparing pentanoic diacid derivatives Ratiopharm GmbH (DE) 2010-09-01 EP disclosed
EP-2181089-A2 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES Ratiopharm GmbH (DE) 2010-05-05 EP disclosed
US-5948933-A THERAPY FOR DRUG ABRUSE ORGANIX, INC. (US) 1999-09-07 US disclosed
WO-1999002526-A1 TROPANE ANALOGS AND METHODS FOR INHIBITION OF MONOAMINE TRANSPORT ORGANIX, INC. (US) 1999-01-21 WO disclosed
JP-H07316147-A KETOCOUMARIN DERIVATIVE AND PHOTOSENSITIZATION PIGMENT FOR PHOTOPOLYMER COMPRISING SUCH DERIVATIVE NIPPON KANKO SHIKISO KENKYUSHO:KK 1995-12-05 JP disclosed
US-4960907-A Partially saponifying; delarboxylating diesters; optional ketalization SCHERING AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
EP-0276204-A2 Pyridine gametocides Monsanto Company (US) 1988-07-27 EP disclosed
US-4747871-A 2,6-bis(trifluoromethyl)-3-hydroxycarbonyl pyridine, salts and gametocides MONSANTO COMPANY (US) 1988-05-31 US 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-4229582-A Process for the preparation of sterically uniform, natural 6-thiatetracycline derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-10-21 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 (4 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-20110065920-A1 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES HMGCR, DPYD, FDPS SMN1; SMN2 4585/4885ALDH1A1 671/4885ALOX15 603/4885
US-20190224185-A1 PREPARATION OF (-)-COCAINE HYDROCHLORIDE CES2, SLC6A3, BCHE SMN1; SMN2 1177/4885ALDH1A1 2326/4885ALOX15 3717/4885
US-20210069173-A1 PREPARATION OF (-)-COCAINE HYDROCHLORIDE CES2, SLC6A3, BCHE SMN1; SMN2 1177/4885ALDH1A1 2326/4885ALOX15 3717/4885
US-20190224184-A1 PREPARATION OF (-)-COCAINE HYDROCHLORIDE CES2, SLC6A3, BCHE SMN1; SMN2 1177/4885ALDH1A1 2326/4885ALOX15 3717/4885

“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.