SCHEMBL239632

SCHEMBL239632

COC(=O)c1cc(C(=O)c2ccc(Nc3ccc(Cl)cc3)cn2)ccc1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 11/20 0.47
P2RX3 P56373 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
PNLIP P16233 3/20 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
SCHEMBL237289 0.91 LTC4S (0.49) LTC4SKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL239488 0.89 KMT2A (0.43) P2RX3MEN1KMT2AKCNQ3KCNQ2
SCHEMBL239894 0.87 KMT2A (0.43) LTC4SP2RX3MEN1KMT2AKCNQ3
SCHEMBL238403 0.85 LTC4S (0.64) LTC4S
SCHEMBL238194 0.83 LTC4S (0.47) LTC4SP2RX3MEN1KMT2A
SCHEMBL237749 0.82 HSD17B10 (0.44) LTC4S
SCHEMBL240022 0.78 LTC4S (0.49) LTC4SMEN1KMT2A
SCHEMBL27849459 0.78 P2RX3 (0.45) P2RX3MEN1KMT2AKCNQ3KCNQ2
SCHEMBL239013 0.76 LTC4S (0.69) LTC4S
SCHEMBL240019 0.74 LTC4S (0.46) LTC4S

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 1 patent. 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

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 LTC4S 1/4885P2RX3 861/4885MEN1 4148/4885

“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.