SCHEMBL10106374

SCHEMBL10106374

CCOC(=O)CCCCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.56
FFAR1 O14842 2/20 0.56
CYP4F2 P78329 2/20 0.56
CYP4A11 Q02928 2/20 0.56
CYP4Z1 Q86W10 2/20 0.54
LTA4H P09960 4/20 0.53
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
CRHBP P24387 1/20 0.50
RAB9A P51151 1/20 0.50
CRHR2 Q13324 1/20 0.50
PLAAT3 P53816 1/20 0.50
PLAAT5 Q96KN8 1/20 0.50
PLAAT2 Q9NWW9 1/20 0.50
PLAAT4 Q9UL19 1/20 0.50
SRD5A2 P31213 1/20 0.50
PPARG P37231 1/20 0.49
CYP4F11 Q9HBI6 1/20 0.49
CYP4F12 Q9HCS2 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49

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
SCHEMBL27472366 0.96 ALOX5 (0.61) ALOX5FFAR1CYP4F2CYP4A11CYP4Z1
SCHEMBL2773677 0.90 FFAR1 (0.66) ALOX5FFAR1CYP4F2CYP4A11CYP4Z1
SCHEMBL6328999 0.88 ALOX5 (0.69) ALOX5CYP4F2CYP4A11CYP4Z1LTA4H
SCHEMBL28663154 0.87 MAPK14 (0.65) NPC1HPGDRAB9APPARG
SCHEMBL9669828 0.86 ALOX5 (0.68) ALOX5CYP4F2CYP4A11CYP4Z1FAAH
SCHEMBL10417461 0.86 ALOX5 (0.68) ALOX5CYP4F2CYP4A11CYP4Z1FAAH
SCHEMBL3684923 0.86 ALOX5 (0.68) ALOX5CYP4F2CYP4A11CYP4Z1FAAH
SCHEMBL9670778 0.86 ALOX5 (0.68) ALOX5CYP4F2CYP4A11CYP4Z1FAAH
SCHEMBL18388146 0.85 MGLL (0.64) ALOX5CYP4F2CYP4A11CYP4Z1FAAH
SCHEMBL26952094 0.85 FFAR1 (0.59) ALOX5FFAR1LTA4HPLAAT3PLAAT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 US disclosed
US-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 US disclosed
WO-2010123599-A9 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-02-17 WO disclosed
WO-2010123599-A2 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-10-28 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 (2 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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS CUTA, MMP8, CLPP ALOX5 620/4885FFAR1 4021/4885CYP4F2 4805/4885
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 ALOX5 1919/4885FFAR1 2064/4885CYP4F2 142/4885

“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.