SCHEMBL236030

SCHEMBL236030

COc1ccc(Sc2ccc(C(=O)c3ccc(OCc4cccc(Cl)c4)cn3)cc2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 10/20 0.49
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CSNK2A2 P19784 1/20 0.43
CSNK2A1 P68400 1/20 0.43
NR4A2 P43354 1/20 0.43
ANO1 Q5XXA6 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
SCHEMBL237419 0.89 RXRA (0.48) LTC4SRXRARXRBRXRGMAOA
SCHEMBL2755473 0.85 RXRA (0.51) LTC4SRXRARXRBRXRGMAOA
SCHEMBL239377 0.79 RXRA (0.54) LTC4SRXRARXRBRXRGMAOA
SCHEMBL238157 0.78 MAOB (0.52) LTC4SRXRARXRBRXRGMAOA
SCHEMBL2755496 0.77 LTC4S (0.78) LTC4S
SCHEMBL11380057 0.75 P4HTM (0.72) RXRARXRBRXRGMAOAMAOB
SCHEMBL9988244 0.73 LTC4S (0.49) LTC4SP4HTM
SCHEMBL16527555 0.73 IDO1 (0.51) PKMRAB9ASMN1; SMN2
SCHEMBL2755494 0.70 LTC4S (0.76) LTC4S
SCHEMBL6556776 0.70 LMNA (0.56) SMN1; SMN2

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 6 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
US-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2011-12-29 US disclosed
US-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2011-12-29 US disclosed
US-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2011-12-29 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 (2 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 LTC4S 1/4885RXRA 2420/4885RXRB 2018/4885
US-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R LTC4S 1/4885RXRA 2238/4885RXRB 1966/4885

“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.