SCHEMBL3077698

SCHEMBL3077698

CCc1cc(C)cc(CC)c1C1C(=O)NC2(CCC(C)CC2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
FPR2 P25090 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PDE7A Q13946 1/20 0.32
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 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
SCHEMBL3076232 0.86 ACACB (0.32)
SCHEMBL7619891 0.85 THRB (0.39) THRBHTTLMNAFPR2ALDH1A1
SCHEMBL2886584 0.81 ACACB (0.33) KMT2A
SCHEMBL2889210 0.81 KMT2A (0.41) LMNAPDE7ASMN1; SMN2KMT2AMAPT
SCHEMBL2996875 0.79 CNR2 (0.31) MEN1KMT2A
SCHEMBL5435809 0.79 BACE1 (0.32)
SCHEMBL5437164 0.79 KMT2A (0.38) ALDH1A1KDM4EPDE7AKMT2A
SCHEMBL7614135 0.77 THRB (0.36) THRBHTTFPR2PDE7A
SCHEMBL3001186 0.77 KMT2A (0.36) HTTLMNAALDH1A1PDE7ASMN1; SMN2
SCHEMBL6994760 0.75 SMN1; SMN2 (0.38) THRBHTTLMNAFPR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383853-B2 Method for preparing 2,6-diethyl-4-methylphenylacetic acid BAYER CROPSCIENCE AG (DE) 2013-02-26 US disclosed
US-20100261934-A1 Method for Preparing 2,6-Diethyl-4-Methylphenylacetic Acid BAYER CROPSCIENCE AG (DE) 2010-10-14 US disclosed
US-20100224869-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR STRUCTURE AND ORGANIC SEMICONDUCTOR APPARATUS DAI NIPPON PRINTING CO., LTD. (JP) 2010-09-09 US disclosed
EP-2218710-A1 Procedure for the preparation of 2,6-diethyl-4-methylphenylacetic acid Bayer CropScience AG (DE) 2010-08-18 EP disclosed
US-20080318776-A1 2,6-Diethyl-4-Methylphenyl-Substituted Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2008-12-25 US disclosed
EP-1809635-A1 2,6-DIETHYL-4-METHYL-PHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES Bayer CropScience AG (DE) 2007-07-25 EP disclosed
WO-2006056282-A1 2,6-DIETHYL-4-METHYL-PHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-06-01 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 (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-20100224869-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR STRUCTURE AND ORGANIC SEMICONDUCTOR APPARATUS TST, OSTC, LATS2 THRB 4053/4885HTT 1741/4885LMNA 4412/4885
US-20100261934-A1 Method for Preparing 2,6-Diethyl-4-Methylphenylacetic Acid DDT, TET1, DDC THRB 754/4885HTT 2330/4885LMNA 4009/4885
US-20080318776-A1 2,6-Diethyl-4-Methylphenyl-Substituted Tetramic Acid Derivatives DDT, TET1, TET3 THRB 288/4885HTT 1769/4885LMNA 4223/4885

“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.