SCHEMBL12422575

SCHEMBL12422575

CC(=O)NCCCCCNC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
HTT P42858 1/20 0.58
EPHX2 P34913 14/20 0.53
MAPK1 P28482 1/20 0.53
HIF1A Q16665 1/20 0.53
KMT2A Q03164 2/20 0.51
MEN1 O00255 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
SCHEMBL20999491 0.83 KDM4E (0.63) KDM4EHTTEPHX2KMT2AMEN1
SCHEMBL17702625 0.83 KMT2A (0.70) KDM4EHTTEPHX2KMT2AMEN1
SCHEMBL16365921 0.82 KDM4E (0.76) KDM4EHTTEPHX2KMT2AMEN1
SCHEMBL27004615 0.79 HTT (0.62) KDM4EHTTEPHX2KMT2AMEN1
SCHEMBL25984015 0.79 KDM4E (0.50) KDM4EHTTEPHX2KMT2AMEN1
SCHEMBL11513574 0.79 ALDH1A1 (0.57) KDM4EHTTEPHX2KMT2AMEN1
SCHEMBL17703651 0.79 KDM4E (0.57) KDM4EHTTEPHX2KMT2AMEN1
SCHEMBL17755397 0.79 HTT (0.57) KDM4EHTTEPHX2KMT2AMEN1
Hydrochloric Acid SCHEMBL11516217 0.78 ALDH1A1 (0.59) KDM4EHTTEPHX2KMT2AMEN1
SCHEMBL19426816 0.78 KDM4E (0.59) KDM4EHTTEPHX2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431529-B2 Bi-dentate compounds as kinase inhibitors SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2013-04-30 US disclosed
US-8431529-B2 Bi-dentate compounds as kinase inhibitors SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2013-04-30 US disclosed
US-20110172164-A1 BI-DENTATE COMPOUNDS AS KINASE INHIBITORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-07-14 US disclosed
US-20110172164-A1 BI-DENTATE COMPOUNDS AS KINASE INHIBITORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-07-14 US disclosed
US-7919581-B2 Bi-dentate compounds as kinase inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-04-05 US disclosed
US-7919581-B2 Bi-dentate compounds as kinase inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-04-05 US disclosed
US-20090054348-A1 BI-DENTATE COMPOUNDS AS KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-26 US disclosed
US-20090054348-A1 BI-DENTATE COMPOUNDS AS KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-26 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-20110172164-A1 BI-DENTATE COMPOUNDS AS KINASE INHIBITORS MAP2K2, MAP2K7, MAP2K1 KDM4E 3572/4885HTT 2530/4885EPHX2 538/4885
US-20090054348-A1 BI-DENTATE COMPOUNDS AS KINASE INHIBITORS MAP2K2, MAP2K1, MAP2K7 KDM4E 3505/4885HTT 2463/4885EPHX2 347/4885

“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.