SCHEMBL678933

SCHEMBL678933

CCN(CC)CCCOc1ccc(C(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
HRH3 Q9Y5N1 3/20 0.51
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
EBP Q15125 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL11262665 0.91 EBP (0.58) KDM4EHRH3MEN1KMT2AEBP
SCHEMBL16417743 0.83 HRH3 (0.47) KDM4EHRH3MEN1POLBKMT2A
SCHEMBL679055 0.82 KDM4E (0.65) KDM4EHRH3POLB
SCHEMBL9593021 0.81 HRH3 (0.57) KDM4EHRH3MEN1POLBKMT2A
SCHEMBL20234326 0.81 HRH3 (0.61) KDM4EHRH3MEN1POLBKMT2A
SCHEMBL22248702 0.81 HRH3 (0.62) KDM4EHRH3MEN1POLBKMT2A
SCHEMBL12865043 0.80 KDM4E (0.60) KDM4EHRH3EBPSIGMAR1
SCHEMBL678570 0.80 HRH3 (0.56) KDM4EHRH3
SCHEMBL17300726 0.79 CHRNB2 (0.51) KDM4EHRH3MEN1POLBKMT2A
SCHEMBL22248703 0.79 HRH3 (0.65) KDM4EHRH3MEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940896-B2 Tetra-cyclic carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2015-01-27 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 KDM4E 2789/4885HRH3 485/4885MEN1 1324/4885

“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.