SCHEMBL2825301

SCHEMBL2825301

OCc1ccc(Cn2c(-c3ccccc3)ccc2-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
FYN P06241 2/20 0.44
BACE1 P56817 2/20 0.44
APP P05067 1/20 0.44
LTA4H P09960 1/20 0.42
HPGDS O60760 1/20 0.41
CNR2 P34972 1/20 0.40
CTSD P07339 1/20 0.40
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
IDO1 P14902 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
VHL P40337 1/20 0.38
ELOC Q15369 1/20 0.38
ELOB Q15370 1/20 0.38
CYP19A1 P11511 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38

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
SCHEMBL9664824 0.86 CYP19A1 (0.50) BACE1APPHPGDSCYP11B1CYP11B2
SCHEMBL2823906 0.79 L3MBTL1 (0.57) BACE1ALDH1A1
SCHEMBL11274656 0.74 TSHR (0.68) TSHRFYNLTA4HIDO1ALDH1A1
Biphenyl SCHEMBL27280595 0.74 TSHR (0.68) TSHRFYNLTA4HIDO1ALDH1A1
SCHEMBL70274 0.74 TSHR (0.68) TSHRFYNLTA4HIDO1ALDH1A1
SCHEMBL3631457 0.73 SMN1; SMN2 (0.56) FYN
SCHEMBL6279507 0.72 MMP3 (0.46) TSHRHPGDSCNR2KDM4EALDH1A1
Biphenyl SCHEMBL3279732 0.71 TSHR (0.82) TSHRBACE1LTA4HCNR2IDO1
SCHEMBL35773 0.70 TSHR (0.62) TSHRFYNBACE1LTA4HALDH1A1
SCHEMBL2262505 0.69 FAAH (0.50) TSHRCYP11B1CYP11B2ALDH1A1FAAH

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
EP-1731505-B1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-01-14 EP disclosed
EP-1731505-B1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-01-14 EP disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
EP-1731505-A1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-12-13 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-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives GPR119, FFAR1, GPR55 TSHR 799/4885FYN 3363/4885BACE1 1970/4885

“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.