SCHEMBL9988004

SCHEMBL9988004

O=C(c1ccc(NC(c2ccc(Cl)cc2)C2CC2)cc1)c1ccc(Sc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NR4A1 P22736 1/20 0.37
▸ LMNA P02545 1/20 0.35
▸ SERPINE1 P05121 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RHOA P61586 1/20 0.34
▸ LTC4S Q16873 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34

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
SCHEMBL9988113 0.89 LTC4S (0.44) BCL2L1POLBLTC4S
SCHEMBL9988442 0.85 LTC4S (0.45) BCL2L1POLBLTC4S
SCHEMBL9988074 0.84 LTC4S (0.44) LTC4S
SCHEMBL9988164 0.83 LTC4S (0.45) LTC4S
SCHEMBL237437 0.82 LTC4S (0.42) BCL2L1POLBLTC4S
SCHEMBL9988365 0.81 LTC4S (0.42) LTC4S
SCHEMBL9988008 0.81 LTC4S (0.37) CYP1A2CYP3A4CYP2C19LTC4SAKR1C3
SCHEMBL9988244 0.80 LTC4S (0.49) LTC4S
SCHEMBL9988066 0.80 LTC4S (0.46) LTC4S
SCHEMBL9988256 0.80 LTC4S (0.47) 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-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 (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-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R BCL2L1 3396/4885POLB 1804/4885MAPT 3714/4885

“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.

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