SCHEMBL239586

SCHEMBL239586

O=C(c1ccc(Oc2ccccc2)c(C(=O)O)c1)c1ccc(OCc2cccc(Br)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.49
MAOB P27338 8/20 0.48
MRGPRX4 Q96LA9 3/20 0.48
PARP15 Q460N3 3/20 0.48
PARP10 Q53GL7 2/20 0.48
PARP14 Q460N5 1/20 0.48
PTGES O14684 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
MAOA P21397 4/20 0.44
SRD5A2 P31213 1/20 0.43
ALKBH1 Q13686 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
SCHEMBL239377 0.90 RXRA (0.54) P4HTMMAOBMRGPRX4MAOASRD5A2
SCHEMBL2755474 0.87 NR4A2 (0.56) P4HTMMAOBMRGPRX4FFAR1FFAR4
SCHEMBL236056 0.86 PTGDR2 (0.47) P4HTMMAOBMRGPRX4ALKBH1
SCHEMBL2755473 0.83 RXRA (0.51) MAOBMRGPRX4MAOAALKBH1
SCHEMBL2755475 0.83 LTC4S (0.49) P4HTMMAOBMRGPRX4PTGES
SCHEMBL2755476 0.79 MAOB (0.48) P4HTMMAOBMRGPRX4FFAR1FFAR4
SCHEMBL237749 0.74 HSD17B10 (0.44)
SCHEMBL240022 0.74 LTC4S (0.49)
SCHEMBL236052 0.73 LTC4S (0.45)
SCHEMBL239013 0.72 LTC4S (0.69)

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-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed
US-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed
US-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 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-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R P4HTM 403/4885MAOB 96/4885MRGPRX4 764/4885

“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.