SCHEMBL6354816

SCHEMBL6354816

CC(C)(c1ccc(O)cc1)c1ccc(OCc2cccc(COc3ccc(C(N)=NCCC(=O)O)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.46
PTPN1 P18031 1/20 0.46
MAOB P27338 4/20 0.45
F2 P00734 2/20 0.44
FFAR1 O14842 4/20 0.43
FFAR4 Q5NUL3 2/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
NR4A2 P43354 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
PARP10 Q53GL7 3/20 0.42
PARP15 Q460N3 1/20 0.42
PARP14 Q460N5 1/20 0.42
MAOA P21397 1/20 0.42
PKM P14618 1/20 0.42

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
Amelubant SCHEMBL13696755 0.80 MAOB (0.45) PTPRCPTPN1MAOBF2MRGPRX4
Amelubant SCHEMBL1891672 0.80 MAOB (0.45) PTPRCPTPN1MAOBF2MRGPRX4
SCHEMBL8378348 0.79 F2 (0.51) PTPRCPTPN1MAOBF2MRGPRX4
SCHEMBL8378347 0.79 F2 (0.51) PTPRCPTPN1MAOBF2MRGPRX4
SCHEMBL13140115 0.78 F2 (0.53) PTPRCPTPN1MAOBF2MRGPRX4
SCHEMBL31506335 0.78 F2 (0.72) F2
SCHEMBL4999957 0.78 F2 (0.72) F2
SCHEMBL5200582 0.78 PTPRC (0.46) PTPRCPTPN1MAOBF2FFAR1
Hydrochloric Acid SCHEMBL6557386 0.77 F2 (0.73) F2
SCHEMBL8378355 0.76 MAOB (0.47) PTPRCPTPN1MAOBF2MRGPRX4

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-20050129768-A1 Pharmaceutical formulation containing an LTB4-antagonist, as well as processes for the preparation thereof and the use thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-16 US claimed
US-20050129768-A1 Pharmaceutical formulation containing an LTB4-antagonist, as well as processes for the preparation thereof and the use thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-16 US disclosed
US-20050095293-A1 Administration form for the oral application of poorly soluble drugs BOEHRINGER INGELHEIM PHARMA GMBH CO. KG (DE) 2005-05-05 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-20050129768-A1 Pharmaceutical formulation containing an LTB4-antagonist, as well as processes for the preparation thereof and the use thereof LTB4R, LTB4R2, LTA4H PTPRC 3233/4885PTPN1 1940/4885MAOB 274/4885

“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.