SCHEMBL5082469

SCHEMBL5082469

CC(C)Cc1ccc(C=O)c(CC(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.55
GABRB2 P47870 2/20 0.55
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
LMNA P02545 2/20 0.37
CYP2C9 P11712 2/20 0.37
AKR1C3 P42330 2/20 0.37
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
ALB P02768 1/20 0.37
ESR1 P03372 1/20 0.37
ALOX5 P09917 1/20 0.37
RARB P10826 1/20 0.37
ADRB3 P13945 1/20 0.37
NFKB1 P19838 1/20 0.37
HTR2A P28223 1/20 0.37
NR1I3 Q14994 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
CXCL8 P10145 1/20 0.37
TYR P14679 1/20 0.37

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
SCHEMBL677749 0.83 GABRA1 (0.56) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL17748247 0.81 GABRA1 (0.42) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL16241052 0.81 GABRA1 (0.55) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL17749073 0.81 SRC (0.45) GABRA1GABRB2LMNACYP2C9ALB
SCHEMBL28986692 0.80 TYR (0.56) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL17160035 0.80 GABRA1 (0.53) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL17761413 0.80 GABRA1 (0.41) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL3024106 0.80 GABRA1 (0.34) GABRA1GABRB2TYR
SCHEMBL454314 0.77 ALDH1A1 (0.54) LMNATSHRPOLBMAPTALDH1A1
SCHEMBL10839254 0.77 GABRA1 (0.39) GABRA1GABRB2PTGS1PTGS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1524256-B1 Production method of alkylbenzaldehydes MITSUBISHI GAS CHEMICAL CO (JP) 2008-12-17 EP disclosed
CN-100366600-C Method for producing alkylbenzaldehydes MITSUBISHI GAS CHEMICAL CO (JP) 2008-02-06 CN disclosed
US-7154008-B2 Production method of alkylbenzaldehydes MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-12-26 US disclosed
CN-1660747-A Method for producing alkylbenzaldehydes MITSUBISHI GAS CHEMICAL CO (JP) 2005-08-31 CN disclosed
US-20050085670-A1 Production method of alkylbenzaldehydes MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-04-21 US disclosed
EP-1524256-A1 Production method of alkylbenzaldehydes MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-04-20 EP 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-20050085670-A1 Production method of alkylbenzaldehydes AFF2, TBCB, FGB GABRA1 855/4885GABRB2 458/4885PTGS1 3367/4885

“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.