SCHEMBL6383370

SCHEMBL6383370

CC[CH]OC1CCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
NAAA Q02083 2/20 0.34
SHBG P04278 1/20 0.33
ADH1A P07327 2/20 0.32
ADH1C P00326 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
ACHE P22303 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 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
SCHEMBL3349465 1.00 EPHX1 (0.38) EPHX1NAAASHBGADH1AADH1C
SCHEMBL765983 1.00 EPHX1 (0.38) EPHX1NAAASHBGADH1AADH1C
SCHEMBL2582250 0.97
SCHEMBL125380 0.92
SCHEMBL127042 0.86
SCHEMBL6384799 0.83 NAAA (0.35) EPHX1NAAASHBGADH1ACYP1A2
SCHEMBL5321699 0.83 NAAA (0.35) EPHX1NAAASHBGADH1ACYP1A2
SCHEMBL6381348 0.83 NAAA (0.35) EPHX1NAAASHBGADH1ACYP1A2
SCHEMBL6379898 0.80 NAAA (0.33) EPHX1NAAACYP1A2
SCHEMBL2357695 0.80 NAAA (0.41) EPHX1NAAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190002604-A1 HETERORING-CONTAINING SILOXANE POLYMER, COMPOSITION CONTAINING SAID POLYMER, AND ELECTRONIC ELEMENT DAINIPPON INK & CHEMICALS (JP) 2019-01-03 US disclosed
US-20180223181-A1 SILOXANE MONOMER, POLYMER THEREOF, COMPOSITION CONTAINING SAID POLYMER, AND ELECTRONIC ELEMENT DAINIPPON INK & CHEMICALS (JP) 2018-08-09 US disclosed
US-20130012546-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2013-01-10 US disclosed
US-20050085516-A1 2-W-diaminocarboxylic acid compounds BASF AKTIENGESELLSCHAFT (DE) 2005-04-21 US disclosed
EP-0944623-B1 SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES BASF AG (DE) 2004-09-01 EP disclosed
EP-1200428-B1 SUBSTITUTED BENZOXAZOLES BASF AG (DE) 2003-04-16 EP disclosed
US-6528455-B1 Post or preemergence herbicides such as 3-(4-chloro-2-fluoro -5-(1-methoxycarbonyl-1-vinyloxy)phenyl)-1-methyl-6-trifluoro methyl-2,4-pyrimidinedione BASF AKTIENGESELLSCHAFT (DE) 2003-03-04 US disclosed
US-6482774-B1 Substituted (4-brompyrazole-3-yl) benzazoles BASF AKTIENGESELLSCHAFT (DE) 2002-11-19 US disclosed
EP-0915853-B1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AG (DE) 2002-11-06 EP disclosed
EP-1076660-B1 SUBSTITUTED (4-BROMPYRAZOLE-3-YL)BENZAZOLES BASF AG (DE) 2002-06-26 EP disclosed
US-6383986-B1 USE AS HERBICIDES, DESICCANTS OR DEFOLIANTS AND PLANT SAFENING AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-05-07 US disclosed
CN-1302298-A Substituted (4-brompyrazole-3-yl) indole BASF AG (DE) 2001-07-04 CN disclosed
US-6232470-B1 AGRICULTURE BASF AKTIENGESELLSCHAFT (DE) 2001-05-15 US disclosed
US-6197973-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
CN-1244865-A Substituted pyrazole-3-yl benzazoles BASF AK (DE) 2000-02-16 CN 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-20050085516-A1 2-W-diaminocarboxylic acid compounds DDT, ANTXR2, MTX2 EPHX1 476/4885NAAA 378/4885SHBG 3703/4885
US-20180223181-A1 SILOXANE MONOMER, POLYMER THEREOF, COMPOSITION CONTAINING SAID POLYMER, AND ELECTRONIC ELEMENT ILK, LIMA1, EED EPHX1 638/4885NAAA 4673/4885SHBG 3858/4885
US-20130012546-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HPD, HAAO, CYP8B1 EPHX1 115/4885NAAA 972/4885SHBG 3425/4885

“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.