SCHEMBL1150375

SCHEMBL1150375

C1CN(C23CC4CC(CC(C4)C2)C3)CCO1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
CYP2A13 Q16696 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
EPHX2 P34913 1/20 0.41
MAPK1 P28482 1/20 0.40
SIGMAR1 Q99720 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL23933220 0.84 KDM4E (0.37) KDM4ECYP2A13MEN1KMT2AALDH1A1
SCHEMBL23933219 0.84 KDM4E (0.37) KDM4ECYP2A13MEN1KMT2AALDH1A1
SCHEMBL15922897 0.82 TP53 (0.41) KDM4EMEN1KMT2AALDH1A1MAPK1
SCHEMBL11355878 0.77 HSD11B1 (0.41) MEN1KMT2AMAPK1SIGMAR1TP53
SCHEMBL15922741 0.77 TP53 (0.39) MEN1KMT2AMAPK1SIGMAR1TP53
SCHEMBL1143530 0.75 TP53 (0.41) MEN1KMT2AALDH1A1MAPK1SIGMAR1
SCHEMBL15922928 0.75 HSD11B1 (0.43) MEN1KMT2ATP53SMN1; SMN2TSHR
SCHEMBL10436532 0.75 HSD11B1 (0.43) MEN1KMT2ATP53SMN1; SMN2TSHR
SCHEMBL25044952 0.73 CYP2A13 (0.38) KDM4ECYP2A13ALDH1A1EPHX2SMN1; SMN2
SCHEMBL455945 0.72 TP53 (0.36) KDM4EMEN1KMT2AALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2011-08-18 US disclosed
US-20110028510-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2011-02-03 US disclosed
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases COMBINATORX, INC. 2006-11-30 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 (3 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-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases PSEN2, PSEN1, HTT KDM4E 2982/4885CYP2A13 4715/4885MEN1 3151/4885
US-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 KDM4E 3465/4885CYP2A13 1288/4885MEN1 2260/4885
US-20110028510-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 KDM4E 3465/4885CYP2A13 1288/4885MEN1 2260/4885

“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.