SCHEMBL3499100

SCHEMBL3499100

CC(C)(C)OC(=O)c1ccccc1COc1ccc(CC(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.65
RXRA P19793 8/20 0.65
NR1H3 Q13133 8/20 0.65
FFAR1 O14842 7/20 0.44
FFAR4 Q5NUL3 5/20 0.44
ALOX5 P09917 1/20 0.44
AKR1B1 P15121 1/20 0.43

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
SCHEMBL3500378 0.88 NR1H2 (0.52) NR1H2RXRANR1H3ALOX5
SCHEMBL3995720 0.86 TSHR (0.50) NR1H2RXRANR1H3FFAR1FFAR4
SCHEMBL2552269 0.83 FOLH1 (0.53) FFAR1FFAR4ALOX5AKR1B1
Methane SCHEMBL10567951 0.81 FOLH1 (0.52) FFAR1FFAR4ALOX5AKR1B1
SCHEMBL5984166 0.81 BCAT2 (0.49) NR1H2RXRANR1H3AKR1B1
SCHEMBL1678558 0.79 RXRA (1.00) NR1H2RXRANR1H3FFAR1FFAR4
SCHEMBL6237724 0.77 MAOB (0.64) FFAR1FFAR4ALOX5
SCHEMBL3498170 0.77 MRGPRX4 (0.55) NR1H2RXRANR1H3
SCHEMBL28141293 0.76 AKR1B1 (0.58) FFAR1FFAR4ALOX5AKR1B1
SCHEMBL2801838 0.75 ALDH1A1 (0.52) RXRAALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 NR1H2 75/4885RXRA 275/4885NR1H3 77/4885

“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.