SCHEMBL2961657

SCHEMBL2961657

C=C(C)CC(O)C(Cl)(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL7127074 0.75 CYP2C19 (0.34) CYP2C19HSD17B10TDP1LMNA
SCHEMBL3224348 0.74 CYP2C19 (0.58) CYP2C19TDP1LMNACYP1A2CYP3A4
SCHEMBL12814071 0.74 CETP (0.42) HSD17B10TDP1
SCHEMBL11445178 0.74 HSD17B10 (0.30) HSD17B10TDP1
SCHEMBL11760382 0.70 MAOB (0.32)
SCHEMBL21546399 0.69
SCHEMBL5902373 0.67
SCHEMBL11650478 0.67 HSD17B10 (0.39) HSD17B10TDP1
SCHEMBL8382997 0.67 CYP2C19 (0.61) CYP2C19TDP1
SCHEMBL7526128 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4113968-A FROM A 1-HALO-3-ALKENE-2-OL KURARAY CO., LTD. (JP) 1978-09-12 US claimed
EP-1238704-B1 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst DAICEL CHEM (JP) 2015-01-21 EP disclosed
EP-1433527-B1 CATALYSTS COMPRISED OF N-SUBSTITUTED CYCLIC IMIDES AND PROCESSES FOR PREPARING ORGANIC COMPOUNDS WITH THE CATALYSTS DAICEL CHEM (JP) 2013-11-06 EP disclosed
US-7759515-B2 Catalyst comprising N-substituted cyclic imide compound and process for producing organic compounds using the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-07-20 US disclosed
US-7741514-B2 Catalyst comprising N-substituted cyclic imide compound and process for producing organic compound using the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-22 US disclosed
US-7368615-B2 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2008-05-06 US disclosed
US-7183423-B1 Process for the preparation of organic compounds with imide catalysts DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-02-27 US disclosed
US-20060281629-A1 Catalyst comprising N-substituted cyclic imide compound and process for producing organic compound using the catalyst ISHII YASUTAKA 2006-12-14 US disclosed
US-20060229196-A1 Catalyst comprising n-substituted cyclic imide compound and process for producing organic compounds using the catalyst ISHII YASUTAKA 2006-10-12 US disclosed
US-7115541-B2 Catalyst comprising n-substituted cyclic imides and processes for preparing organic compounds with the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-10-03 US disclosed
US-4198343-A Method of preparing dihalogen vinyl cyclopropanecarboxylic acid esters DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1980-04-15 US disclosed
US-4198342-A Method of preparing dihalogen vinyl cyclopropanecarboxylic acid esters DYNAMIT NOBEL ATKIENGESELLSCHAFT (DE) 1980-04-15 US disclosed
US-4190730-A CATALYTIC THERMAL ISOMERIZATION KURARAY CO., LTD. (JP) 1980-02-26 US disclosed
US-4180446-A Method of preparing dihalogen vinyl cyclopropanecarboxylic acid esters DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1979-12-25 US disclosed
EP-0003666-A1 Oxabicyclo 3.1.0 hexanes useful in the production of cyclopropanecarboxylate insecticides and intermediate compounds FMC Corporation (US) 1979-08-22 EP disclosed
US-4117247-A THERMAL ISOMERIZATION KURARAY CO., LTD. (JP) 1978-09-26 US disclosed
US-4113968-A FROM A 1-HALO-3-ALKENE-2-OL KURARAY CO., LTD. (JP) 1978-09-12 US disclosed
US-4098657-A Electrolyte dehydrohalogenation of α-haloalcohols IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-07-04 US disclosed
US-4083855-A Method for producing a γ-lactone SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-04-11 US disclosed
US-4022672-A Electrochemical synthesis of insecticide intermediates FMC CORPORATION (US) 1977-05-10 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 (2 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-20060229196-A1 Catalyst comprising n-substituted cyclic imide compound and process for producing organic compounds using the catalyst NOS2, NOS1, NOS3 CYP2C19 205/4885HSD17B10 1823/4885TDP1 3824/4885
US-20060281629-A1 Catalyst comprising N-substituted cyclic imide compound and process for producing organic compound using the catalyst NOS2, NOS1, NOS3 CYP2C19 219/4885HSD17B10 1825/4885TDP1 3922/4885

“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.