SCHEMBL13080558

SCHEMBL13080558

O=Cc1coc2cc(O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ HSD17B10 Q99714 5/20 0.50
▸ HPGD P15428 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ MAOA P21397 2/20 0.50
▸ MAOB P27338 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ AKR1B10 O60218 1/20 0.50
▸ TTR P02766 1/20 0.50
▸ ESR1 P03372 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ ALDH2 P05091 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50

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
SCHEMBL1861100 0.88 PTPN1 (0.61) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL29954829 0.88 PTPN1 (0.61) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL358642 0.78 PTPN1 (0.63) ALDH1A1MAPTMAOAMAOBTDP1
SCHEMBL23707495 0.77 PTPN1 (0.67) KDM4EALDH1A1MAPTMAOAMAOB
SCHEMBL27950586 0.75 HSD17B3 (0.65) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL30705195 0.74 XDH (0.74) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL4247045 0.74 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL29972769 0.74 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL3927927 0.74 KMT2A (0.49) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL13524013 0.74 PIM1 (0.54) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD

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
CN-102459251-B Compounds with two fused bicyclic heteroaryl moieties as modulators of leukotriene a4 hydrolase JANSSEN PHARMACEUTICA NV 2015-05-20 — — CN disclosed
US-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 — — US disclosed
CN-1475487-A Fluoro flavon containing compound, manufacturing method and its use 东华大学 2004-02-18 — — CN 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-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R KDM4E 2435/4885ALDH1A1 1950/4885SMN1; SMN2 4691/4885

“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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