SCHEMBL29353263

SCHEMBL29353263

CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
FABP3 P05413 2/20 0.32
FABP4 P15090 2/20 0.32
FABP5 Q01469 1/20 0.31
PDK2 Q15119 1/20 0.31

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
SCHEMBL165778 1.00 ROCK2 (0.35) ROCK2GABRA1GABRB2FABP3FABP4
SCHEMBL28313352 0.98 ROCK2 (0.34) ROCK2GABRA1GABRB2FABP3FABP4
SCHEMBL19928426 0.94 ROCK2 (0.32) ROCK2
SCHEMBL29912661 0.94 ROCK2 (0.32) ROCK2
SCHEMBL29946397 0.91 FABP3 (0.41) FABP3FABP4FABP5
Acetonitrile SCHEMBL30092421 0.87
Trifluoromethanesulfonic Acid SCHEMBL28465642 0.86 FABP3 (0.38) FABP3FABP4FABP5PDK2
Trifluoromethanesulfonic Acid SCHEMBL28465644 0.86 GPR3 (0.36) FABP3FABP4FABP5
Phenethylamine SCHEMBL21198481 0.86 HTR2A (0.37)
SCHEMBL4003562 0.86 ROCK2 (0.37) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122010656-A Application of oxyalkylisourea in introducing methyl and isotopically-labeled methyl 陕西师范大学 2026-05-12 CN claimed
CN-120040320-A Diamine monomer and preparation method thereof 中国科学院长春应用化学研究所 2025-05-27 CN claimed
CN-119731143-A Process for the preparation of biobased olefins from primary alcohols 巴斯夫欧洲公司 2025-03-28 CN claimed
US-12162829-B2 Gas phase process for acrylate production from ethylene and carbon dioxide CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2024-12-10 US claimed
CN-119080668-A 3, 3-Bisindole dialkyl compound and synthetic method thereof 西安工程大学 2024-12-06 CN claimed
CN-118852046-A Preparation method of stable isotope labeled oxazolidone internal standard reagent 谱同生物医药科技(常州)有限公司 2024-10-29 CN claimed
CN-118084627-B Preparation method of cannabigerol and analogues thereof 厦门沃克沃德医药科技有限公司 2024-09-24 CN claimed
CN-114292304-B Method for synthesizing aryl alkyne lead compound 康龙化成(宁波)科技发展有限公司 2024-07-09 CN claimed
CN-118307475-A Preparation method of stable isotope labeled fluxapyroxad internal standard reagent 谱同生物医药科技(常州)有限公司 2024-07-09 CN claimed
CN-118090990-A Preparation method of stable isotope labeled hypnone internal standard reagent 谱同生物医药科技(常州)有限公司 2024-05-28 CN claimed
CN-115521282-A Synthetic process of coumarin compound E-Suberenol 大理大学 2022-12-27 CN claimed
CN-115477630-A Coumarin derivatives and preparation method thereof 大理大学 2022-12-16 CN claimed
CN-115477631-A Synthesis method of compound containing dimethyl enol group 大理大学 2022-12-16 CN claimed
CN-115298160-A Pd-catalyzed amination of fluorinated aryl chlorides 巴斯夫欧洲公司 2022-11-04 CN claimed
CN-110359097-B Method for obtaining On-DNA aromatic hydrocarbon compound through Suzuki coupling reaction in construction of DNA coding compound library 上海药明康德新药开发有限公司 2022-09-20 CN claimed
WO-2022157106-A1 SYNTHESIS OF POLYFLUORINATED ARYL AND HETEROARYL CARBOXAMIDES BASF SE (DE) 2022-07-28 WO claimed
WO-2022136049-A2 ORGANOMETALLIC COMPOUNDS UMICORE AG & CO. KG (DE) 2022-06-30 WO claimed
CN-110331447-B Method for preparing On-DNA aryl alkyne compound in construction of DNA coding compound library 上海药明康德新药开发有限公司 2022-05-27 CN claimed
CN-114292304-A Method for synthesizing aryl alkyne lead compound 康龙化成(宁波)科技发展有限公司 2022-04-08 CN claimed
CN-113968872-A Preparation method of phenyl substituted ACC inhibitor 南京圣和药业股份有限公司 2022-01-25 CN claimed

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-12162829-B2 Gas phase process for acrylate production from ethylene and carbon dioxide MSMO1, ALOX15, ALOX12 ROCK2 3356/4885GABRA1 4036/4885GABRB2 4311/4885

“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.