SCHEMBL518088

SCHEMBL518088

CCC(C)C(=O)CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
FFAR3 O14843 2/20 0.38
CYP1A2 P05177 1/20 0.37
NAALAD2 Q9Y3Q0 3/20 0.37
FOLH1 Q04609 2/20 0.37
MME P08473 3/20 0.36
ACE P12821 3/20 0.36
CPA1 P15085 2/20 0.36
ACE2 Q9BYF1 2/20 0.36
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL6914535 0.88 LDHA (0.35) LDHASRRFFAR3CYP1A2NAALAD2
SCHEMBL15992208 0.86 MMP1 (0.41) NAALAD2FOLH1ALDH1A1
3-Methylbutanoic Acid SCHEMBL9755747 0.82 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL9126999 0.81 SLC22A6 (0.33) FFAR3CYP1A2NAALAD2FOLH1MME
SCHEMBL5307825 0.80 HDAC1 (0.42) LDHASRRFFAR3CYP1A2ACE2
SCHEMBL9292168 0.80 HAO1 (0.38) NAALAD2FOLH1MMEACECPA1
SCHEMBL409846 0.79 MMP1 (0.37) NAALAD2FOLH1
Malonic Acid SCHEMBL29035578 0.79 CYP1A2 (0.48) LDHASRRFFAR3CYP1A2NAALAD2
SCHEMBL410004 0.79 ALDH1A1 (0.38) NAALAD2FOLH1ALDH1A1TDP1
Malonic Acid SCHEMBL30534820 0.79 CYP1A2 (0.48) LDHASRRFFAR3CYP1A2NAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567968-A Moisture-heat-resistant acrylic glue and preparation method thereof 江苏斯瑞达材料技术股份有限公司 2024-02-20 CN claimed
WO-2011083495-A2 PROCESS FOR THE PREPARATION OF DIHYDROXY PROTECTED DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS MSN LABORATORIES LIMITED (IN) 2011-07-14 WO claimed
EP-0226558-B1 Chemical intermediates and methods for their preparation HAESSLE AB (SE) 1994-04-06 EP claimed
EP-0366632-A1 Alternative energy substrates KABIVITRUM AB (SE) 1990-05-02 EP claimed
US-20240368214-A1 POSITIVE NMDA-MODULATING COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2024-11-07 US disclosed
EP-4392432-A2 POSITIVE NMDA-MODULATING COMPOUNDS AND METHODS OF USE THEREOF Sage Therapeutics, Inc. (US) 2024-07-03 EP disclosed
CN-117567968-A Moisture-heat-resistant acrylic glue and preparation method thereof 江苏斯瑞达材料技术股份有限公司 2024-02-20 CN disclosed
CN-117567968-A Moisture-heat-resistant acrylic glue and preparation method thereof 江苏斯瑞达材料技术股份有限公司 2024-02-20 CN disclosed
CN-117178030-A Aqueous coating composition for corrosion protection 湛新奥地利有限公司 2023-12-05 CN disclosed
US-20230107216-A1 PANTETHEINE DERIVATIVES AND USES THEREOF VECTIVBIO COMET AG, F/K/A COMET THERAPEUTICS, INC. (CH) 2023-04-06 US disclosed
WO-2023028278-A2 POSITIVE NMDA-MODULATING COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2023-03-02 WO disclosed
WO-2022255165-A1 LAMINATED FILM 日東電工株式会社 2022-12-08 WO disclosed
US-4053486-A STEREOSPECIFIC TOTAL STEROIDAL SYNTHESIS VIA SUBSTITUTED C/D-TRANS INDANONES HOFFMANN-LA ROCHE INC. (US) 1977-10-11 US disclosed
US-4052413-A STEREOSPECIFIC TOTAL STEROIDAL SYNTHESIS VIA SUBSTITUTED C/D-TRANS INDANONES HOFFMANN-LA ROCHE, INC. (US) 1977-10-04 US disclosed
US-4049677-A Stereospecific total steroidal synthesis via substituted C/D-trans indanones HOFFMAN-LA ROCHE INC. (US) 1977-09-20 US disclosed
US-4048195-A Process of synthesizing substituted indanones HOFFMANN-LA ROCHE INC. (US) 1977-09-13 US disclosed
US-3985733-A Stereospecific total steroidal synthesis via substituted C/D-trans indanones HOFFMANN-LA ROCHE INC. (US) 1976-10-12 US disclosed
US-3984473-A Stereospecific total steroidal synthesis via substituted C/D-trans indanones HOFFMANN-LA ROCHE INC. (US) 1976-10-05 US disclosed
US-3965117-A Stereospecific total steroidal synthesis via substituted c/d-trans indanones HOFFMANN-LA ROCHE INC. (US) 1976-06-22 US disclosed
US-3950389-A Stereospecific total steroidal synthesis via substituted C/D-trans indanones HOFFMANN-LA ROCHE INC. (US) 1976-04-13 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-20230107216-A1 PANTETHEINE DERIVATIVES AND USES THEREOF VNN1, NQO1, VKORC1 LDHA 502/4885SRR 1332/4885FFAR3 3957/4885
US-20240368214-A1 POSITIVE NMDA-MODULATING COMPOUNDS AND METHODS OF USE THEREOF GRIN1, GRIN3A, GRIN2B LDHA 872/4885SRR 2369/4885FFAR3 1242/4885

“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.