SCHEMBL4608928

SCHEMBL4608928

COc1cc[c]c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
ALDH1A1 P00352 6/20 0.35
CYP1A2 P05177 2/20 0.34
ACHE P22303 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP3A4 P08684 2/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7230309 0.84 ALDH1A1 (0.35) CA1CA2CA7CA9CA12
SCHEMBL160639 0.82 PGR (0.36) CA1CA2CA7CA9CA12
SCHEMBL9340384 0.81 NPC1 (0.32) CA1CA2CA7CA9CA12
SCHEMBL6638430 0.80 TAAR1 (0.35) ALDH1A1CYP1A2CYP3A4MAPTMEN1
SCHEMBL29020367 0.74 ALDH1A1 (0.53) ALDH1A1CYP3A4GAAMAPTMEN1
SCHEMBL28206151 0.74 ALDH1A1 (0.37) ALDH1A1CYP1A2GAAMAPTMEN1
SCHEMBL301056 0.73 ALDH1A1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL15066961 0.73 ALDH1A1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL1777557 0.71 TSHR (0.33) CA2ALDH1A1CYP1A2ACHECYP2A6
SCHEMBL160135 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117136188-A Process for preparing enantiomerically enriched forms of 2- [2- (2-chlorothiazol-5-yl) -2-hydroxyethyl ] sulfanyl-6-hydroxy-3-methyl-5-phenylpyrimidin-4-one by hydrogenation of 2-oxo derivatives in the presence of chiral transition metal catalysts 巴斯夫欧洲公司 2023-11-28 CN claimed
CN-113557227-A Method for producing prostaglandin 协和医药化工股份有限公司 2021-10-26 CN claimed
WO-2020195437-A1 METHOD FOR PRODUCING PKROSTAGLANDIN 協和ファーマケミカル株式会社 2020-10-01 WO claimed
US-7294729-B2 Bis-chelating ligand and use thereof in carbonylation processes UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2007-11-13 US claimed
US-20060058557-A1 Bis-chelating ligand and use thereof in carbonylation processes UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC 2006-03-16 US claimed
EP-1554293-A1 BIS-CHELATING LIGAND AND USE THEREOF IN CARBONYLATION PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2005-07-20 EP claimed
WO-2004035595-A1 BIS-CHELATING LIGAND AND USE THEREOF IN CARBONYLATION PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2004-04-29 WO claimed
US-20030003358-A1 Thermal runaway inhibitors ENERGY, UNITED STATES, DEPARTMENT OF 2003-01-02 US claimed
US-5981530-A FOR TREATMENT OF ALLERGIC DISEASES SENJU PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US claimed
US-5061584-A Photosensitive layer contains butadiene, hydrazone and mono-phenol compounds; does not crack when oil drops or fingprints adhere to it SHINDENGEN ELECTRIC MANUFACTURING CO., LTD (JP) 1991-10-29 US claimed
CN-118103532-A Method for recovering rhodium from a hydroformylation process 陶氏技术投资有限责任公司 2024-05-28 CN disclosed
CN-117693496-A Oligomerization process in a reactor having a variable diameter zone comprising a step of recycling pre-cooled solvent IFP 新能源公司 2024-03-12 CN disclosed
CN-112533889-B Process for oligomerization in cascade with stirred gas-liquid reactor staged injection of ethylene IFP 新能源公司 2024-03-05 CN disclosed
CN-117136188-A Process for preparing enantiomerically enriched forms of 2- [2- (2-chlorothiazol-5-yl) -2-hydroxyethyl ] sulfanyl-6-hydroxy-3-methyl-5-phenylpyrimidin-4-one by hydrogenation of 2-oxo derivatives in the presence of chiral transition metal catalysts 巴斯夫欧洲公司 2023-11-28 CN disclosed
CN-117120401-A Oligomerization process comprising a step of recycling pre-cooled solvent IFP 新能源公司 2023-11-24 CN disclosed
US-4309335-A THERMAL AGING RESISTANCE; ORTHO-SUBSTITUTED PHENYL ACID PHOSPHITE ADEKA ARGUS CHEMICAL CO., LTD. 1982-01-05 US disclosed
EP-0038876-A1 2,6-Di-tertiary butyl phenyl pentaerythritol spiro bis-phosphites enhancing the stability to heat and light of synthetic resins, stabilizer compositions comprising phenolic antioxidants and such phosphites, and synthetic resin compositions containing the same ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1981-11-04 EP disclosed
EP-0033395-A2 2,6-Di-tertiary butyl phenyl phosphites and synthetic resin compositions containing these phosphites ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1981-08-12 EP disclosed
US-4282141-A DISCOLORATION INHIBITION FOR VINYL CHLORIDE POLYMERS ARGUS CHEMICAL CORPORATION (US) 1981-08-04 US disclosed
EP-0032681-A2 Hindered bis-phenol phenyl phosphites and synthetic resin compositions having enhanced stability to heat and light ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1981-07-29 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-20060058557-A1 Bis-chelating ligand and use thereof in carbonylation processes CBR1, CBR3, AR CA1 924/4885CA2 217/4885CA7 1524/4885

“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.