SCHEMBL9826900

SCHEMBL9826900

O=C(Nc1ccc(CCc2ccc(O)c(O)c2)cc1)c1ccccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 15/20 1.00
▸ CCR5 P51681 1/20 0.62
▸ LMNA P02545 3/20 0.60
▸ MEN1 O00255 2/20 0.59
▸ TP53 P04637 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ NPC1 O15118 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ POLB P06746 1/20 0.57

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
SCHEMBL9826484 0.86 ALOX15 (0.76) ALOX15CCR5NPC1RAB9A
SCHEMBL9826365 0.82 ALOX15 (1.00) ALOX15CCR5LMNATP53HTT
SCHEMBL10384347 0.82 ALOX15 (1.00) ALOX15
SCHEMBL9826705 0.82 ALOX15 (0.69) ALOX15LMNAMEN1TP53HTT
SCHEMBL19077945 0.81 ALOX15 (0.68) ALOX15CCR5LMNAMEN1TP53
SCHEMBL18327174 0.81 LMNA (0.89) ALOX15LMNAMEN1TP53HTT
SCHEMBL19077954 0.80 ALOX15 (0.67) ALOX15LMNAMEN1TP53HTT
SCHEMBL10877212 0.80 ALOX15 (0.74) ALOX15CCR5LMNAMEN1KMT2A
SCHEMBL6262760 0.79 ALOX15 (0.66) ALOX15LMNAMEN1HTTKMT2A
SCHEMBL9826824 0.79 ALOX15 (0.75) ALOX15CCR5MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221346-B1 (N-SUBSTITUTED-2-HYDROXY) BENZAMIDES AND N-SUBSTITUTED-2-HYDROXY-ALPHA-OXO-BENZENEACETAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF HAVING ACTIVITY AS MODULATORS OF THE ARACHIDONIC ACID CASCADE WARNER-LAMBERT COMPANY (US) 1991-01-30 — — EP claimed
EP-0221346-A1 (N-substituted-2-hydroxy) benzamides and N-substituted-2-hydroxy-alpha-oxo-benzeneacetamides and pharmaceutical compositions thereof having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 — — EP claimed
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 — — US disclosed
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 — — US disclosed
US-20090220583-A1 Method and composition for treating inflammatory disorders MEDA AB (SE) 2009-09-03 — — US disclosed
US-20090220583-A1 Method and composition for treating inflammatory disorders MEDA AB (SE) 2009-09-03 — — US disclosed
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas BIOLIPOX AB (SE) 2008-04-03 — — US disclosed
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas BIOLIPOX AB (SE) 2008-04-03 — — US disclosed
EP-0221346-B1 (N-SUBSTITUTED-2-HYDROXY) BENZAMIDES AND N-SUBSTITUTED-2-HYDROXY-ALPHA-OXO-BENZENEACETAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF HAVING ACTIVITY AS MODULATORS OF THE ARACHIDONIC ACID CASCADE WARNER-LAMBERT COMPANY (US) 1991-01-30 — — EP disclosed
US-4939133-A N-substituted-2-hydroxy-α-oxo-benzeneacetamides and pharmaceutical compositions having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1990-07-03 — — US disclosed
EP-0221346-A1 (N-substituted-2-hydroxy) benzamides and N-substituted-2-hydroxy-alpha-oxo-benzeneacetamides and pharmaceutical compositions thereof having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 — — EP 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 (3 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-20090220583-A1 Method and composition for treating inflammatory disorders LIPA, HRH2, HRH1 ALOX15 15/4885CCR5 796/4885LMNA 2837/4885
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders LIPA, HRH2, HRH1 ALOX15 15/4885CCR5 796/4885LMNA 2837/4885
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas LTB4R, LTA4H, LTA ALOX15 11/4885CCR5 1467/4885LMNA 758/4885

“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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