SCHEMBL6631200

SCHEMBL6631200

CC(C)(C)OC(=O)NOCC(O)CN1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ATM Q13315 2/20 0.40
PKM P14618 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 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
SCHEMBL3076619 0.79 ALDH1A1 (0.48) ABCB1HTTL3MBTL1KMT2AMEN1
SCHEMBL6745840 0.79 MEN1 (0.48) ABCB1KMT2AMEN1ATMPKM
SCHEMBL17251631 0.78 MEN1 (0.46) ABCB1HTTL3MBTL1KMT2AMEN1
SCHEMBL17241772 0.78 MEN1 (0.46) ABCB1HTTL3MBTL1KMT2AMEN1
SCHEMBL5698940 0.77 MEN1 (0.52) ABCB1KMT2AMEN1ATMPKM
SCHEMBL3065195 0.77 ABCB1 (0.44) ABCB1L3MBTL1KMT2AMEN1ATM
SCHEMBL16112113 0.77 TDP1 (0.39) HTTKMT2AMEN1CYP2D6CYP2C19
SCHEMBL7526130 0.77 ABCB1 (0.49) ABCB1KMT2AMEN1ATMPKM
SCHEMBL7530991 0.75 ABCB1 (0.48) ABCB1KMT2AMEN1ATMPKM
SCHEMBL7277526 0.73 KMT2A (0.54) HTTL3MBTL1KMT2AMEN1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889042-B1 RADICICOL DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2004-05-06 EP disclosed
US-20040053990-A1 Radicicol derivatives KYOWA HAKKO KOGYO CO., LTD (JP) 2004-03-18 US disclosed
US-6635662-B2 A 2-oxime derivative; antitumor and -carcinogenic agents; immunosuppressents; osteoporosis; enzyme inhibitors of tyrosine kinase activity KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-21 US disclosed
US-6316491-B1 INHIBITORS OF TYROSINE KINASE USED AS ANTITUMOR OR IMMUNOSUPPRESSION AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-11-13 US disclosed
US-20010027208-A1 Radicicol derivatives INO YOJI (JP) 2001-10-04 US disclosed
US-6239168-B1 ANTITUMOR AGENTS, IMMUNOSUPPRESSANTS; TYROSINE KINASE INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-05-29 US disclosed
EP-0889042-A1 RADICICOL DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-01-07 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-20040053990-A1 Radicicol derivatives ROS1, LYN, SRC ABCB1 3873/4885HTT 4255/4885L3MBTL1 259/4885
US-20010027208-A1 Radicicol derivatives ROS1, LYN, SRC ABCB1 3853/4885HTT 4134/4885L3MBTL1 343/4885

“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.