SCHEMBL6535890

SCHEMBL6535890

COc1ccc(C(C)(C)CC(=O)O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.44
FFAR1 O14842 2/20 0.43
FFAR2 O15552 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
VDR P11473 1/20 0.42
CYP19A1 P11511 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
GRK6 P43250 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40

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
SCHEMBL8090992 0.87 SLC13A5 (0.44) SLC13A5FFAR1FFAR2FFAR4VDR
SCHEMBL6337285 0.86 GAA (0.54) SLC13A5ALDH1A1GAA
SCHEMBL6086103 0.84 FFAR1 (0.46) FFAR1FFAR2FFAR4VDRCYP19A1
SCHEMBL6826197 0.84 ALDH1A1 (0.49) SLC13A5KDM4EALDH1A1HSD17B10GAA
SCHEMBL6828426 0.84 CYP2C19 (0.55) FFAR1KDM4EALDH1A1LMNAGAA
SCHEMBL19261801 0.81 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10CYP2C19
SCHEMBL7835864 0.81 CYP2C19 (0.46) SLC13A5ALDH1A1LMNACYP2C19
SCHEMBL6336769 0.81 CA5A (0.41) SLC13A5KDM4EALDH1A1LMNA
SCHEMBL3753644 0.78 AKR1C3 (0.49) FFAR1FFAR2FFAR4VDRCYP19A1
SCHEMBL6535262 0.78 ESR1 (0.55) VDRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689902-B2 REDUCTIVE ALKYLATION AJINOMOTO CO., INC. (JP) 2004-02-10 US claimed
US-20030032842-A1 Novel arylpropyl aldehyde derivatives, processes for producing the same, and methods of using the same AJINOMOTO CO., INC. (JP) 2003-02-13 US claimed
EP-1249442-A1 NOVEL ARYLPROPIONALDEHYDE DERIVATIVES AND PRODUCTION AND USE OF THE SAME Ajinomoto Co., Inc. (JP) 2002-10-16 EP claimed
EP-1249442-A4 NOVEL ARYLPROPIONALDEHYDE DERIVATIVES AND PRODUCTION AND USE OF THE SAME AJINOMOTO KK (JP) 2004-10-13 EP disclosed
US-6689902-B2 REDUCTIVE ALKYLATION AJINOMOTO CO., INC. (JP) 2004-02-10 US disclosed
US-6689902-B2 REDUCTIVE ALKYLATION AJINOMOTO CO., INC. (JP) 2004-02-10 US disclosed
US-20030032842-A1 Novel arylpropyl aldehyde derivatives, processes for producing the same, and methods of using the same AJINOMOTO CO., INC. (JP) 2003-02-13 US disclosed
US-20030032842-A1 Novel arylpropyl aldehyde derivatives, processes for producing the same, and methods of using the same AJINOMOTO CO., INC. (JP) 2003-02-13 US disclosed
CN-1395551-A Novel arylpropionaldehyde derivatives and production and use of the same AJINOMOTO KK (JP) 2003-02-05 CN disclosed
EP-1249442-A1 NOVEL ARYLPROPIONALDEHYDE DERIVATIVES AND PRODUCTION AND USE OF THE SAME Ajinomoto Co., Inc. (JP) 2002-10-16 EP disclosed
EP-1249442-A1 NOVEL ARYLPROPIONALDEHYDE DERIVATIVES AND PRODUCTION AND USE OF THE SAME Ajinomoto Co., Inc. (JP) 2002-10-16 EP disclosed
WO-2001053243-A1 NOVEL ARYLPROPIONALDEHYDE DERIVATIVES AND PRODUCTION AND USE OF THE SAME AJINOMOTO CO., INC. (JP) 2001-07-26 WO disclosed
JP-2001199930-A NEW ARYLPROPYLALDEHYDE DERIVATIVE, METHOD FOR PRODUCTION OF THE DERIVATIVE AND ITS USE, ETC. AJINOMOTO CO INC 2001-07-24 JP 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-20030032842-A1 Novel arylpropyl aldehyde derivatives, processes for producing the same, and methods of using the same ALDH7A1, ASPH, DDC SLC13A5 3319/4885FFAR1 692/4885FFAR2 820/4885

“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.