SCHEMBL6898372

SCHEMBL6898372

COc1cc(OC)cc(N2CCN(C(=NO)Nc3cc(C)c(C)cc3OC)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.47
CYP2C19 P33261 3/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 2/20 0.44
PHGDH O43175 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
ADRB1 P08588 1/20 0.39
RBP4 P02753 1/20 0.39
PKM P14618 1/20 0.38
GFER P55789 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 3/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL6898814 0.89 CYP3A4 (0.42) CYP3A4CYP2C19MEN1KMT2APOLB
SCHEMBL6899041 0.88 CYP3A4 (0.52) CYP3A4CYP2C19MEN1KMT2APOLB
SCHEMBL6897563 0.88 KMT2A (0.52) CYP3A4CYP2C19MEN1KMT2APOLB
SCHEMBL6896916 0.87 ALDH1A1 (0.40) CYP3A4CYP2C19MEN1KMT2APOLB
SCHEMBL6896729 0.84 KMT2A (0.52) MEN1KMT2APOLBL3MBTL1RBP4
SCHEMBL6897989 0.84 KMT2A (0.41) CYP3A4CYP2C19MEN1KMT2APOLB
SCHEMBL6966493 0.83 RBP4 (0.56) KMT2APOLBL3MBTL1RBP4PKM
SCHEMBL6783848 0.83 KMT2A (0.63) CYP3A4CYP2C19MEN1KMT2APOLB
SCHEMBL6672614 0.82 PHGDH (0.45) CYP3A4CYP2C19MEN1KMT2APOLB
SCHEMBL6897289 0.79 KMT2A (0.44) MEN1KMT2AL3MBTL1RBP4PKM

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-6683184-B2 ANTITUMOR AGENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2004-01-27 US disclosed
US-20030092910-A1 Piperazine derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2003-05-15 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-20030092910-A1 Piperazine derivatives and process for the preparation thereof CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS CYP3A4 339/4885CYP2C19 1186/4885MEN1 3862/4885

“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.