SCHEMBL3980388

SCHEMBL3980388

Cc1cccc(C(C(C)C)C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.50
AOC3 Q16853 1/20 0.44
ACP3 P15309 1/20 0.44
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
EPHX1 P07099 1/20 0.39
MAPT P10636 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP19A1 P11511 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL17132530 0.81 SLC6A2 (0.43) ACHEAOC3ACP3EPHX1SLC6A2
SCHEMBL10797679 0.80 ACHE (0.55) ACHEAOC3ACP3ALDH1A1MAPK1
SCHEMBL99347 0.80 ACHE (0.55) ACHEAOC3ACP3ALDH1A1MAPK1
SCHEMBL5490186 0.80 ACHE (0.55) ACHEAOC3ACP3ALDH1A1MAPK1
SCHEMBL931982 0.80 ACHE (0.55) ACHEAOC3ACP3ALDH1A1MAPK1
SCHEMBL29352930 0.80 ACHE (0.55) ACHEAOC3ACP3ALDH1A1MAPK1
SCHEMBL29378635 0.80 ACHE (0.55) ACHEAOC3ACP3ALDH1A1MAPK1
SCHEMBL6055386 0.79 ACHE (0.48) ACHEAOC3ACP3ALDH1A1MAPK1
SCHEMBL257406 0.78 ACHE (0.52) ACHEAOC3ACP3ALDH1A1MAPK1
SCHEMBL9284625 0.78 ACHE (0.52) ACHEAOC3ACP3ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559701-B1 Process for producing alkylaromatic compound MITSUBISHI GAS CHEMICAL CO (JP) 2014-10-08 EP disclosed
US-7518025-B2 Process for producing alkyl aromatic compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-04-14 US disclosed
CN-1286783-C Process for producing alkylaromatic compound MITSUBISHI GAS CHEMICAL CO (JP) 2006-11-29 CN disclosed
US-20060122439-A1 Process for producing alkylaromatic compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-06-08 US disclosed
CN-1708465-A Process for producing alkylaromatic compounds MITSUBISHI GAS CHEMICAL CO (JP) 2005-12-14 CN disclosed
EP-1559701-A1 PROCESS FOR PRODUCING ALKYLAROMATIC COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-08-03 EP disclosed
EP-1073629-A1 ANION-COMPLEXING COMPOUND, METHOD OF PREPARING THE SAME, AN ION-SELECTIVE MEMBRANE AND A SENSOR PROVIDED WITH SUCH A COMPOUND OR MEMBRANE STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2001-02-07 EP disclosed
WO-1999051570-A1 ANION-COMPLEXING COMPOUND, METHOD OF PREPARING THE SAME, AN ION-SELECTIVE MEMBRANE AND A SENSOR PROVIDED WITH SUCH A COMPOUND OR MEMBRANE STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 1999-10-14 WO 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-20060122439-A1 Process for producing alkylaromatic compound DDC, RNF5, DDT ACHE 237/4885AOC3 46/4885ACP3 3790/4885

“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.