SCHEMBL3141899

SCHEMBL3141899

Cc1cccc(C(=O)O)c1COc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.51
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
MAOB P27338 4/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PPARA Q07869 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOA P21397 2/20 0.41

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
SCHEMBL9387008 0.83 APP (0.46) MRGPRX4RXRARXRBMAOBALDH1A1
SCHEMBL8641878 0.81 FFAR1 (0.48) MAOBFFAR1FFAR4
SCHEMBL14344173 0.80 NPC1 (0.49) RXRAPPARAALDH1A1TP53NPC1
SCHEMBL9512764 0.77 NR4A2 (0.60) RXRARXRBMAOBNPC1RAB9A
SCHEMBL16280257 0.77 ALDH1A1 (0.52) PPARAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31215369 0.77 SLC22A12 (0.51) MRGPRX4MAOBTP53NPC1RAB9A
SCHEMBL3142013 0.76 MRGPRX4 (0.56) MRGPRX4RXRARXRBFFAR1FFAR4
SCHEMBL16920920 0.76 MRGPRX4 (0.47) MRGPRX4FFAR4ALDH1A1KDM4EHPGD
SCHEMBL18831623 0.76 SLC22A12 (0.45) MRGPRX4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16920917 0.75 SLC22A12 (0.53) MRGPRX4RXRAPPARAALDH1A1KDM4E

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
EP-2067777-B1 OXEPIN DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2013-08-14 EP disclosed
US-8222419-B2 Oxepin derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2012-07-17 US disclosed
US-20100004456-A1 Oxepin derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US 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-20100004456-A1 Oxepin derivative HRH4, HRH3, HCRTR2 MRGPRX4 237/4885RXRA 4718/4885RXRB 4707/4885

“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.