SCHEMBL6742203

SCHEMBL6742203

CCCC(=O)Oc1cccc(/C=C/C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PDGFRB P09619 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ FBP1 P09467 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAOB P27338 4/20 0.40
▸ BCHE P06276 3/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ BCL9 O00512 1/20 0.40
▸ CTNNB1 P35222 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ TLR4 O00206 1/20 0.39
▸ TLR2 O60603 1/20 0.39

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
SCHEMBL6792463 0.83 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL14732611 0.83 TDP1 (0.43) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL6742672 0.83 BCL9 (0.50) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL3616763 0.82 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2MAOBBCHE
SCHEMBL3616760 0.82 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2MAOBBCHE
SCHEMBL23343626 0.81 CYP3A4 (0.56) KDM4EALDH1A1SMN1; SMN2KMT2AMAOB
SCHEMBL1665199 0.81 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL6742049 0.80 ALOX15 (0.51) KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL421378 0.79 BCL9 (0.53) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL6742038 0.76 TOP2A (0.59) KDM4EALDH1A1SMN1; SMN2KMT2AMAOB

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-20210338610-A1 AMINO-ARYL-BENZAMIDE COMPOUNDS AND METHODS OF USE THEREOF HEPANOVA, INC. 2021-11-04 — — US disclosed
US-11000491-B2 Amino-aryl-benzamide compounds and methods of use thereof HEPANOVA, INC. (US) 2021-05-11 — — US disclosed
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 — — US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 — — US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 — — US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 — — 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 (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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 KDM4E 1835/4885ALDH1A1 3196/4885SMN1; SMN2 2253/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 KDM4E 3842/4885ALDH1A1 863/4885SMN1; SMN2 1209/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 KDM4E 1803/4885ALDH1A1 3103/4885SMN1; SMN2 2272/4885
US-11000491-B2 Amino-aryl-benzamide compounds and methods of use thereof AADAC, GOT2, ABAT KDM4E 787/4885ALDH1A1 342/4885SMN1; SMN2 3705/4885
US-20210338610-A1 AMINO-ARYL-BENZAMIDE COMPOUNDS AND METHODS OF USE THEREOF AADAC, GOT2, ABAT KDM4E 787/4885ALDH1A1 342/4885SMN1; SMN2 3705/4885

“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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