SCHEMBL4345864

SCHEMBL4345864

COc1ccc(C)cc1OCC(O)COc1cccc(CC(OC(C)C)C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
HTR1A P08908 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
FFAR1 O14842 1/20 0.41
PPARA Q07869 4/20 0.41
PPARG P37231 3/20 0.41
PPARD Q03181 2/20 0.41
ATM Q13315 1/20 0.40
MMP1 P03956 5/20 0.40
MMP2 P08253 2/20 0.39
MMP3 P08254 2/20 0.39
MMP9 P14780 2/20 0.39
MMP12 P39900 2/20 0.39
MMP13 P45452 2/20 0.39

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
SCHEMBL13810435 0.91 ADRB2 (0.43) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL4332148 0.90 MEN1 (0.42) ADRB2ADRB1PPARAPPARGPPARD
SCHEMBL4329835 0.90 MRGPRX4 (0.43) ADRB2ADRB1PPARAPPARGPPARD
SCHEMBL4332147 0.90 MEN1 (0.42) ADRB2ADRB1PPARAPPARGPPARD
SCHEMBL4333246 0.90 MRGPRX4 (0.43) ADRB2ADRB1PPARAPPARGPPARD
SCHEMBL4329829 0.90 MRGPRX4 (0.43) ADRB2ADRB1PPARAPPARGPPARD
SCHEMBL4341897 0.90 MEN1 (0.42) ADRB2ADRB1PPARAPPARGPPARD
SCHEMBL4335298 0.89 PPARA (0.43) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL4335294 0.89 PPARA (0.43) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL4343655 0.89 PPARA (0.43) ADRB2ADRB1HTR1AADRA2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 ADRB2 547/4885ADRB1 217/4885HTR1A 1111/4885

“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.