SCHEMBL4599529

SCHEMBL4599529

COC(=O)c1c(OC)ccc(OCc2ccccc2)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HPGD P15428 2/20 0.54
LMNA P02545 1/20 0.54
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RXRA P19793 1/20 0.51
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
ATM Q13315 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL4598359 0.90 RXRA (0.56) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL4600081 0.87 RXRA (0.54) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL9724299 0.86 HPGD (0.56) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL10597970 0.85 RXRA (0.54) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL9724243 0.82 HPGD (0.57) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL24379471 0.82 MAPT (0.54) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL13974895 0.81 RXRA (0.50) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL29930885 0.81 NPC1 (0.60) HPGDLMNANPC1RAB9ASMN1; SMN2
SCHEMBL23611725 0.81 NPC1 (0.60) HPGDLMNANPC1RAB9ASMN1; SMN2
SCHEMBL24379168 0.81 HPGD (0.49) SMPD1HDAC1HDAC8HDAC6HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556034-B1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LTD (GB) 2008-04-16 EP disclosed
US-7138527-B2 Inflammatory, allergic and respiratory disorders; beta 2 adrenoceptors agonists; such as 5-(-2-((-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethyl)amino)propyl) -N-(2-methoxybenzyl)-1H-indole-2-carboxamide PFIZER INC. (US) 2006-11-21 US disclosed
EP-1556034-A1 INDOLE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2005-07-27 EP disclosed
US-20050085526-A1 Indole derivatives useful for the treatment of diseases BROWN ALAN D (GB) 2005-04-21 US disclosed
US-6844362-B2 Indole derivatives useful for the treatment of diseases PFIZER INC (US) 2005-01-18 US disclosed
EP-1440966-A1 Indole derivatives useful for the treatment of diseases Pfizer Limited (GB) 2004-07-28 EP disclosed
US-20040116503-A1 Indole derivatives useful for the treatment of diseases PFIZER INC. 2004-06-17 US disclosed
WO-2004032921-A1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2004-04-22 WO 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-20050085526-A1 Indole derivatives useful for the treatment of diseases IDO1, IDO2, INMT SMPD1 1724/4885HDAC1 1968/4885HDAC8 2658/4885

“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.