SCHEMBL5511294

SCHEMBL5511294

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
FFAR3 O14843 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.34
FFAR1 O14842 1/20 0.34
CPT2 P23786 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL5515263 0.81 HMGCR (0.37) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL28291059 0.81 HMGCR (0.37) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL27507342 0.78 HMGCR (0.39) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL24362107 0.78 HMGCR (0.39) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL28602466 0.78 TDP1 (0.39) TSHRALDH1A1FFAR1CPT2TDP1
SCHEMBL29020317 0.78 HMGCR (0.34) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL25662697 0.76 ALDH1A1 (0.47) TSHRFFAR3ALDH1A1FFAR1TDP1
SCHEMBL6338152 0.73 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL28713981 0.73 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL10554689 0.73 HMGCR (0.34) HMGCRCHRM1TBXA2RADRA1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250320174-A1 SPIN ON METAL-ORGANIC FORMULATIONS MERCK PATENTS GMBH (DE) 2025-10-16 US claimed
EP-4334252-A2 SPIN ON METAL-ORGANIC FORMULATIONS Merck Patent GmbH (DE) 2024-03-13 EP claimed
CN-117295693-A Spin-on metal-organic formulations 默克专利股份有限公司 2023-12-26 CN claimed
WO-2022233919-A2 SPIN ON METAL-ORGANIC FORMULATIONS MERCK PATENT GMBH (DE) 2022-11-10 WO claimed
EP-4641061-A1 OIL-WELL METAL PIPE NIPPON STEEL CORPORATION (JP) 2025-10-29 EP disclosed
US-20250320174-A1 SPIN ON METAL-ORGANIC FORMULATIONS MERCK PATENTS GMBH (DE) 2025-10-16 US disclosed
WO-2024135464-A1 OIL-WELL METAL PIPE 日本製鉄株式会社 2024-06-27 WO disclosed
EP-4334252-A2 SPIN ON METAL-ORGANIC FORMULATIONS Merck Patent GmbH (DE) 2024-03-13 EP disclosed
CN-117295693-A Spin-on metal-organic formulations 默克专利股份有限公司 2023-12-26 CN disclosed
WO-2022233919-A2 SPIN ON METAL-ORGANIC FORMULATIONS MERCK PATENT GMBH (DE) 2022-11-10 WO disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 HMGCR 3266/4885CHRM1 36/4885TBXA2R 288/4885
US-20250320174-A1 SPIN ON METAL-ORGANIC FORMULATIONS SLC39A11, SLC39A3, SLC39A7 HMGCR 1686/4885CHRM1 776/4885TBXA2R 3307/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 HMGCR 2709/4885CHRM1 12/4885TBXA2R 302/4885

“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.