SCHEMBL10102546

SCHEMBL10102546

CCCCC(=O)OCC(O)CCc1cc2cc(C)ccc2nc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
KLK7 P49862 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 5/20 0.40
GAA P10253 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
FAAH O00519 2/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
DHODH Q02127 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
HPGD P15428 1/20 0.36
LPAR1 Q92633 1/20 0.36

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
SCHEMBL10107731 0.88 DHODH (0.39) TDP1FAAHDHODHADRB2ADRB1
SCHEMBL10102706 0.74 KDM4E (0.52) KDM4EKLK7TDP1MEN1KMT2A
SCHEMBL18597328 0.72 CRHBP (0.39) KDM4EALDH1A1CRHBPCRHR2POLB
SCHEMBL3386971 0.71 KDM4E (0.54) KDM4EKLK7TDP1MEN1KMT2A
SCHEMBL3384876 0.70 KDM4E (0.53) KDM4EKLK7TDP1MEN1KMT2A
SCHEMBL1884067 0.69 KDM4E (0.57) KDM4EKLK7TDP1MEN1KMT2A
SCHEMBL4551569 0.68 LPAR1 (0.59) KDM4EMEN1KMT2AADRB2ADRB1
SCHEMBL1891795 0.66 KDM4E (0.57) KDM4EKLK7TDP1ALDH1A1GAA
SCHEMBL13005203 0.66 AKT1 (0.36) KDM4EALDH1A1L3MBTL1MAPK1DHODH
SCHEMBL12749462 0.65 KDM4E (0.55) KDM4EKLK7TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 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 (1 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-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 KIF5A, KIF5C, KIF5B KDM4E 2071/4885KLK7 3826/4885TDP1 691/4885

“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.