SCHEMBL973726

SCHEMBL973726

CCCCCCC(CCCCCC)CCCCCC(CCCCCC)(C(=O)OCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)CCCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ATM Q13315 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
HTT P42858 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.35
LMNA P02545 2/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
USP2 O75604 1/20 0.33
TLR4 O00206 1/20 0.32
GPR84 Q9NQS5 3/20 0.32
FFAR1 O14842 1/20 0.32
FAAH O00519 1/20 0.31

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
SCHEMBL2731548 1.00 MAPT (0.43) MAPTATMMEN1KMT2AL3MBTL1
SCHEMBL8673442 0.92 MEN1 (0.49) MAPTATMMEN1KMT2AL3MBTL1
SCHEMBL719493 0.89 MAPT (0.43) MAPTATMMEN1KMT2AL3MBTL1
SCHEMBL3838857 0.89 MEN1 (0.47) MAPTATMMEN1KMT2AL3MBTL1
SCHEMBL7691355 0.89 MEN1 (0.47) MAPTATMMEN1KMT2AL3MBTL1
SCHEMBL371118 0.88 MEN1 (0.40) MAPTATMMEN1KMT2AL3MBTL1
SCHEMBL326451 0.87 MEN1 (0.46) MAPTATMMEN1KMT2AL3MBTL1
Acetic Acid SCHEMBL888002 0.87 MEN1 (0.49) MAPTATMMEN1KMT2AL3MBTL1
Acetic Acid SCHEMBL5118964 0.86 MAPT (0.43) MAPTATMMEN1KMT2AL3MBTL1
Acetic Acid SCHEMBL169983 0.85 MAPT (0.40) MAPTATMMEN1KMT2AL3MBTL1

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-20110275827-A1 Mitotic Kinesin Inhibitor FUJIFILM CORPORATION (JP) 2011-11-10 US disclosed
EP-1454903-B9 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2011-10-05 EP disclosed
EP-2327702-A1 Mitotic kinesin inhibitor Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 EP disclosed
US-7902234-B2 Thiadiazoline derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-03-08 US disclosed
US-20110004000-A1 Mitotic Kinesin Inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-01-06 US disclosed
EP-1254895-B1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2007-05-23 EP 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-20110004000-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B MAPT 254/4885ATM 648/4885MEN1 3155/4885
US-20110275827-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B MAPT 254/4885ATM 648/4885MEN1 3155/4885

“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.