SCHEMBL9736766

SCHEMBL9736766

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
GABRR1 P24046 2/20 0.42
CYP1A2 P05177 1/20 0.42
ACE2 Q9BYF1 1/20 0.39
FFAR3 O14843 1/20 0.38
FOLH1 Q04609 2/20 0.37
NAALAD2 Q9Y3Q0 2/20 0.37
ENPEP Q07075 2/20 0.37
BLM P54132 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL9328436 0.86 GABRR1 (0.48) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL27970840 0.80 CYP1A2 (0.44) TDP1GABRR1CYP1A2ACE2FFAR3
SCHEMBL15305187 0.80 CYP1A2 (0.62) TDP1GABRR1CYP1A2ACE2FFAR3
SCHEMBL6905507 0.79 CYP2C19 (0.46) TDP1GABRR1CYP1A2FOLH1NAALAD2
Propionic Acid SCHEMBL28729406 0.79 FFAR3 (0.53) TDP1GABRR1CYP1A2ACE2FFAR3
SCHEMBL18052197 0.79 GABRR1 (0.54) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL12672821 0.79 TDP1 (0.45) TDP1FFAR3
SCHEMBL1177351 0.79 GABRR1 (0.54) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL13880377 0.79 TDP1 (0.45) TDP1FFAR3
SCHEMBL27597486 0.78 GABRR1 (0.38) GABRR1CYP1A2ACE2FOLH1NAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024130095-A9 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-08-02 WO disclosed
WO-2024130095-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-06-20 WO disclosed
EP-4305134-A1 METHOD OF FRACTIONATING A SHEA EXTRACT Biosynthis (FR) 2024-01-17 EP disclosed
US-11738004-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer VANDERBILT UNIVERSITY (US) 2023-08-29 US disclosed
US-11718588-B2 5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS inhibitors for the treatment of osteoarthritis GALAPAGOS NV (BE) 2023-08-08 US disclosed
US-11718588-B2 5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS inhibitors for the treatment of osteoarthritis GALAPAGOS NV (BE) 2023-08-08 US disclosed
US-11685714-B2 Prodrugs of cytotoxic active agents having enzymatically cleavable groups BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-06-27 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2022189678-A1 METHOD OF FRACTIONATING A SHEA EXTRACT BIOSYNTHIS (FR) 2022-09-15 WO disclosed
US-20210309614-A1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS GALAPAGOS NV (BE) 2021-10-07 US disclosed
US-8182572-B2 Slow-release fertilizer and method of making and using same REGAL CHEMICAL COMPANY (US) 2012-05-22 US disclosed
US-20120103370-A1 DISHWASHING COMPOSITION RECKITT BENCKISER FINISH B.V. (NL) 2012-05-03 US disclosed
US-20110209252-A1 SLOW-RELEASE FERTILIZER AND METHOD OF MAKING AND USING SAME REGAL CHEMICAL COMPANY 2011-08-25 US disclosed
US-20110207647-A1 COMPOSITION RECKITT BENCKISER N.V. (NL) 2011-08-25 US disclosed
US-5081145-A Contractile prostaglandin antagonists MERCK FROSST CANADA, INC. (CA) 1992-01-14 US disclosed
EP-0166591-B1 INDOLE-2-ALKANOIC ACIDS AND THEIR USE AS PROSTAGLANDIN ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1989-11-23 EP disclosed
US-4837356-A Process for the preparation of alkyl 4-ketoalkanoates SHELL OIL COMPANY (US) 1989-06-06 US disclosed
US-4837356-A Process for the preparation of alkyl 4-ketoalkanoates SHELL OIL COMPANY (US) 1989-06-06 US disclosed
US-4570021-A UNSYMMETRICAL KETONES FROM SYMMETRICAL KETONES SDS BIOTECH CORPORATION (US) 1986-02-11 US disclosed
EP-0166591-A2 Indole-2-alkanoic acids and their use as prostaglandin antagonists MERCK FROSST CANADA INC. (CA) 1986-01-02 EP 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-11685714-B2 Prodrugs of cytotoxic active agents having enzymatically cleavable groups BUB1B, KIF5B, TK1 TDP1 543/4885GABRR1 4175/4885CYP1A2 3159/4885
US-11738004-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer AKR1C3, AKR1C4, AKR1C1 TDP1 3109/4885GABRR1 1511/4885CYP1A2 265/4885
US-20210309614-A1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS ADAMTS1, ADAMTS5, ADAMTS7 TDP1 945/4885GABRR1 3129/4885CYP1A2 1034/4885
US-11718588-B2 5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS inhibitors for the treatment of osteoarthritis ADAMTS1, ADAMTS5, ADAMTS7 TDP1 945/4885GABRR1 3129/4885CYP1A2 1034/4885

“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.