SCHEMBL12702201

SCHEMBL12702201

Cc1ccc2c(C)c(Cc3cccc(N)c3)c(=O)oc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 5/20 0.66
KDM4E B2RXH2 9/20 0.57
GAA P10253 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
GLA P06280 1/20 0.57
HSD17B3 P37058 1/20 0.57
ERAP1 Q9NZ08 1/20 0.57
RAF1 P04049 2/20 0.57
ACHE P22303 2/20 0.56
STS P08842 1/20 0.53
SRC P12931 1/20 0.52
ALDH1A1 P00352 9/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A2 O94788 1/20 0.51
ALDH1B1 P30837 1/20 0.51
ALDH1A3 P47895 1/20 0.51
HPGD P15428 4/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL959893 0.88 KDM4E (0.76) MAP2K1KDM4EGAANPSR1GLA
Dimethylamine SCHEMBL961005 0.84 MAP2K1 (0.59) MAP2K1KDM4EGAANPSR1GLA
SCHEMBL961453 0.83 MAP2K1 (0.58) MAP2K1KDM4EGAANPSR1GLA
SCHEMBL961004 0.82 MAP2K1 (0.62) MAP2K1KDM4EGAANPSR1GLA
SCHEMBL960970 0.81 MAP2K1 (0.67) MAP2K1KDM4EGAANPSR1RAF1
SCHEMBL959610 0.81 MAP2K1 (0.61) MAP2K1KDM4EGAANPSR1GLA
SCHEMBL960396 0.81 MAP2K1 (0.67) MAP2K1KDM4EGAANPSR1RAF1
SCHEMBL12724439 0.81 MAP2K1 (0.56) MAP2K1KDM4EGAANPSR1GLA
SCHEMBL960703 0.81 MAP2K1 (0.70) MAP2K1KDM4EGAARAF1ACHE
SCHEMBL960747 0.81 MAP2K1 (0.55) MAP2K1KDM4EGAANPSR1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569378-B2 p27 protein inducer Sakai, Toshiyuki (JP) 2013-10-29 US disclosed
US-8278465-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-02 US disclosed
US-20110092700-A1 Novel Coumarin Derivative Having Antitumor Activity IIKURA HITOSHI 2011-04-21 US disclosed
US-20110009398-A1 p27 Protein Inducer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-13 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 (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-20110009398-A1 p27 Protein Inducer CDKN1A, CDK2, SKP2 MAP2K1 1179/4885KDM4E 2542/4885GAA 3758/4885
US-20110092700-A1 Novel Coumarin Derivative Having Antitumor Activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SULT1A1, SULT1E1 MAP2K1 3163/4885KDM4E 2810/4885GAA 2381/4885

“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.