SCHEMBL6806145

SCHEMBL6806145

CCc1cc(C)ccc1C(CC)(C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SLC13A5 Q86YT5 1/20 0.38
CYP2C9 P11712 3/20 0.37
SRC P12931 2/20 0.37
CSNK2A1 P68400 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP1A2 P05177 2/20 0.35
TTR P02766 1/20 0.35
CYP2C8 P10632 1/20 0.35
CHRM1 P11229 1/20 0.35
TSHR P16473 1/20 0.35
ADRA1A P35348 1/20 0.35
PPARG P37231 1/20 0.35
HTR2B P41595 1/20 0.35
PPARA Q07869 1/20 0.35
SLCO1B3 Q9NPD5 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
SCHEMBL28685429 0.84 MAPT (0.37) MAPTALDH1A1POLBCYP2C9SRC
SCHEMBL9052781 0.82 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APTGS2
SCHEMBL1773199 0.81 PTGDR2 (0.39) MAPTALDH1A1POLBCYP2C9KDM4E
SCHEMBL1772317 0.81 RIPK1 (0.43) MAPTKDM4ESMN1; SMN2TSHRMEN1
SCHEMBL9052682 0.78 CYP2C9 (0.45) CYP2C9KDM4EPPARGPPARANPC1
SCHEMBL7620826 0.78 DCLRE1A (0.44) MAPTALDH1A1POLBCYP2C9L3MBTL1
SCHEMBL3372927 0.77 MAPT (0.36) MAPTALDH1A1POLBCYP2C9KDM4E
SCHEMBL11646527 0.76 GABRA1 (0.46) ALDH1A1CYP2C9CHRM1TSHRPTGS2
SCHEMBL9054298 0.76 ALDH1A1 (0.48) MAPTALDH1A1POLBCYP2C9L3MBTL1
SCHEMBL2964988 0.76 GABRA1 (0.45) MAPTALDH1A1L3MBTL1CYP1A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110294768-B Method for synthesizing pinoxaden through 2, 6-diethyl-4-methyl phenylmalonate 江苏中旗科技股份有限公司 2021-08-27 CN disclosed
US-20040198797-A1 Process for the preparation of herbicidal derivatives MAETZKE THOMAS (CH) 2004-10-07 US disclosed
EP-1183317-B1 PROCESS FOR THE PREPARATION OF HERBICIDAL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2003-09-17 EP disclosed
US-6552187-B1 Cyclization condensation of arylmalonic acid diamides or arylmalonic acid monoamides with hydrazine derivatives forming substituted 3-hydroxy-4-aryl-5-oxopyrazolines; high yield and purity SYNGENTA CROP PROTECTION, INC. 2003-04-22 US disclosed
EP-1185506-A1 SUBSTITUTED ARYLMALONIC ACID DINITRILES AS INTERMEDIATES FOR THE PREPARATION OF HERBICIDES Syngenta Participations AG (CH) 2002-03-13 EP disclosed
EP-1183317-A2 PROCESS FOR THE PREPARATION OF HERBICIDAL DERIVATIVES Syngenta Participations AG (CH) 2002-03-06 EP disclosed
WO-2000078712-A1 SUBSTITUTED ARYLMALONIC ACID DINITRILES AS INTERMEDIATES FOR THE PREPARTION OF HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-12-28 WO disclosed
WO-2000078881-A2 PROCESS FOR THE PREPARATION OF HERBICIDAL DERIVATIVES SYGENTA PARTICIPATIONS AG (CH) 2000-12-28 WO disclosed
US-5728706-A ENDOTHELIN ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 1998-03-17 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 (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-20040198797-A1 Process for the preparation of herbicidal derivatives CBR3, CBR1, CYC1 MAPT 4790/4885ALDH1A1 254/4885POLB 3543/4885

“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.