SCHEMBL5375018

SCHEMBL5375018

OCCCOc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.68
ALDH1A1 P00352 1/20 0.65
RECQL P46063 1/20 0.65
PLA2G2A P14555 1/20 0.62
KCNA3 P22001 1/20 0.60
PPARA Q07869 1/20 0.56
HRH3 Q9Y5N1 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
TSHR P16473 1/20 0.50
PKM P14618 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
SCHEMBL8955671 0.94 LTA4H (0.67) LTA4HALDH1A1RECQLPLA2G2AKCNA3
SCHEMBL24398832 0.92 LTA4H (0.65) LTA4HALDH1A1RECQLPLA2G2AKCNA3
SCHEMBL2075482 0.92 LTA4H (0.65) LTA4HALDH1A1RECQLPLA2G2AKCNA3
SCHEMBL50192 0.91 ALDH1A1 (0.77) LTA4HALDH1A1RECQLKCNA3HDAC1
SCHEMBL2296317 0.89 ALDH1A1 (0.83) LTA4HALDH1A1RECQLPLA2G2AKCNA3
Phenoxyethanol SCHEMBL8201120 0.87 ALDH1A1 (0.86) LTA4HALDH1A1RECQLKCNA3HDAC1
SCHEMBL11705181 0.86 KDM4E (0.59) LTA4HALDH1A1RECQLKCNA3TSHR
SCHEMBL95951 0.85 KCNA3 (0.76) LTA4HALDH1A1RECQLKCNA3HDAC1
Diphenylether SCHEMBL1373717 0.84 LTA4H (0.63) LTA4HALDH1A1RECQLPLA2G2AKCNA3
SCHEMBL8671305 0.84 LTA4H (0.75) LTA4HALDH1A1RECQLPLA2G2AKCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 US disclosed
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 WO disclosed
US-5280036-A Containing 4h-1,24-triazole ring BASF AKTIENGESELLSCHAFT (DE) 1994-01-18 US disclosed
US-5214064-A Insecticides, nematocides, miticides BASF AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
EP-0289919-B1 N-SUBSTITUTED AZOLES BASF Aktiengesellschaft (DE) 1993-03-17 EP disclosed
US-5187182-A Insecticides, nematocides BASF AKTIENGESELLSCHAFT (DE) 1993-02-16 US disclosed
US-5185359-A N-phenoxphenyloxymethyl substituted azoles and method for controlling pests therewith BASF AKTIENGESELLSCHAFT (DE) 1993-02-09 US disclosed
US-5116860-A N-SUBSTITUTED AZOLES FOR COMBATING INSECTS, ARACHNIDS AND NEMATODES BASF AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed
US-4943585-A N-substituted azoles and insecticide, arachnicide, and nematocide compositions thereof BASF AKTIENGESELLSCHAFT (DE) 1990-07-24 US disclosed
EP-0289919-A2 N-Substituted azoles BASF Aktiengesellschaft (DE) 1988-11-09 EP disclosed
US-4048327-A PESTICIDES CIBA-GEIGY CORPORATION (US) 1977-09-13 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 (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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA LTA4H 2072/4885ALDH1A1 2292/4885RECQL 2823/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA LTA4H 2124/4885ALDH1A1 2029/4885RECQL 2751/4885

“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.