SCHEMBL6795855

SCHEMBL6795855

CCCCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
CETP P11597 1/20 0.55
PPARG P37231 2/20 0.54
PPARA Q07869 2/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
FDFT1 P37268 3/20 0.51

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
SCHEMBL10106193 0.95 PPARA (0.60) LTA4HCETPPPARGPPARAFDFT1
SCHEMBL2874471 0.93 PPARA (0.62) LTA4HCETPPPARGPPARA
SCHEMBL10624215 0.93 PPARA (0.62) LTA4HCETPPPARGPPARA
SCHEMBL23085167 0.93 PPARA (0.62) LTA4HCETPPPARGPPARA
SCHEMBL29959530 0.93 PPARA (0.62) LTA4HCETPPPARGPPARA
SCHEMBL11508066 0.92 PPARA (0.61) LTA4HCETPPPARGPPARAFDFT1
SCHEMBL1696397 0.89 KDM4E (0.55) LTA4HCETPKDM4EALDH1A1TDP1
SCHEMBL10106196 0.88 FDFT1 (0.54) LTA4HCETPPPARGPPARAKDM4E
SCHEMBL9819438 0.87 PPARA (0.63) CETPPPARGPPARA
SCHEMBL21770981 0.87 KDM4E (0.54) LTA4HCETPKDM4EALDH1A1TDP1

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
US-9844540-B2 Combination therapies for treating cancer REDHILL BIOPHARMA LTD. (IL) 2017-12-19 US disclosed
US-20170095460-A1 COMBINATION THERAPIES FOR TREATING CANCER REDHILL BIOPHARMA LTD. (IL) 2017-04-06 US disclosed
US-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20120095004-A1 Sphingosine Kinase Inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2012-04-19 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
CN-1069962-A The preparation method of parasiticidal cyclopropyl-replacement two (aromatic base) compound FMC CORP (US) 1993-03-17 CN disclosed
CN-1069168-A Method for controlling insects and acarids FMC CORP (US) 1993-02-24 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 (5 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-20120095004-A1 Sphingosine Kinase Inhibitors SPHK1, SPHK2, S1PR1 LTA4H 944/4885CETP 402/4885PPARG 3791/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 LTA4H 1008/4885CETP 582/4885PPARG 3868/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 LTA4H 668/4885CETP 424/4885PPARG 2422/4885
US-20170095460-A1 COMBINATION THERAPIES FOR TREATING CANCER KRAS, ACE, TPMT LTA4H 4654/4885CETP 3581/4885PPARG 766/4885
US-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists HAMP, SLC40A1, FTH1 LTA4H 137/4885CETP 1620/4885PPARG 1604/4885

“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.