SCHEMBL9737294

SCHEMBL9737294

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
TSHR P16473 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
FFAR3 O14843 1/20 0.38
TET2 Q6N021 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
ACLY P53396 1/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
KDM4C Q9H3R0 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
SCHEMBL25269996 0.86 TSHR (0.46) TDP1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL7696407 0.80 HDAC3 (0.42) TSHRCYP2D6CYP2C19HIF1AFFAR3
SCHEMBL9458196 0.77 TSHR (0.39) TDP1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL4057954 0.77 TSHR (0.39) TDP1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL9688090 0.77 TDP1 (0.43) TDP1FFAR3ALDH1A1KDM4E
SCHEMBL27815841 0.77 TSHR (0.39) TDP1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL6450455 0.77 TET2 (0.42) TDP1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL1005147 0.76 TSHR (0.42) TDP1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL8363582 0.75 EGLN1 (0.44) TSHRCYP2D6CYP2C19HIF1AFFAR3
SCHEMBL17481554 0.75 ACLY (0.42) TDP1TSHRCYP2D6CYP2C19HIF1A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4275689-A2 CROSSLINKED ARTIFICIAL NUCLEIC ACID ALNA Mitsubishi Tanabe Pharma Corporation (JP) 2023-11-15 EP disclosed
EP-4275690-A2 CROSSLINKED ARTIFICIAL NUCLEIC ACID ALNA Mitsubishi Tanabe Pharma Corporation (JP) 2023-11-15 EP disclosed
WO-2023109912-A1 3, 4-DIHYDROISOQUINOLIN-1 (2H) -ONES DERIVATIVES AS STING ANTAGONISTS AND THE USE THEREOF BEIGENE, LTD. (KY) 2023-06-22 WO disclosed
US-20220002336-A1 CROSSLINKED ARTIFICIAL NUCLEIC ACID ALNA MITSUBISHI TANABE PHARMA CORPORATION (JP) 2022-01-06 US disclosed
EP-3881851-A1 CROSSLINKED ARTIFICIAL NUCLEIC ACID ALNA Mitsubishi Tanabe Pharma Corporation (JP) 2021-09-22 EP disclosed
WO-2016015160-A1 CYCLIC UREA COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS, INC. (CA) 2016-02-04 WO disclosed
WO-2013117137-A1 LUPANE TRITERPENOID DERIVATIVES AND PHARMACEUTICAL USE THEREOF JIANGXI QINGFENG PHARMACEUTICAL INC. (CN) 2013-08-15 WO disclosed
WO-2013020245-A1 CARBONYL DERIVATIVES OF BETULIN GLAXOSMITHKLINE LLC (US) 2013-02-14 WO disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 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
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 (1 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-20220002336-A1 CROSSLINKED ARTIFICIAL NUCLEIC ACID ALNA POLN, DDX21, MUS81 TDP1 789/4885TSHR 3132/4885CYP2D6 4629/4885

“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.