SCHEMBL9924686

SCHEMBL9924686

O=C(CBr)NCCNC(=O)C1CC2C=CC1C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 2/20 0.43
EPHX2 P34913 3/20 0.40
ESR1 P03372 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.38
POLB P06746 3/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
ESR2 Q92731 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL11064771 0.81 KDM4E (0.61) KDM4ELMNAALDH1A1KMT2AEPHX2
SCHEMBL11064769 0.81 KDM4E (0.61) KDM4ELMNAALDH1A1KMT2AEPHX2
SCHEMBL9924679 0.80 KDM4E (0.59) KDM4ELMNAALDH1A1KMT2AEPHX2
SCHEMBL14392991 0.80 KDM4E (0.59) KDM4ELMNAALDH1A1KMT2AEPHX2
SCHEMBL10124090 0.80 KDM4E (0.59) KDM4ELMNAALDH1A1KMT2AEPHX2
SCHEMBL27354236 0.78 KDM4E (0.53) KDM4ELMNAALDH1A1KMT2AEPHX2
SCHEMBL6137154 0.77 KDM4E (0.65) KDM4ELMNAALDH1A1KMT2AEPHX2
SCHEMBL5395258 0.77 KDM4E (0.56) KDM4ELMNAALDH1A1KMT2AEPHX2
SCHEMBL9924682 0.76 KDM4E (0.44) KDM4ELMNAALDH1A1KMT2AESR1
SCHEMBL25361995 0.76 KDM4E (0.54) KDM4ELMNAALDH1A1KMT2AEPHX2

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-9040626-B2 Nanofibers and morphology shifting micelles THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-26 US disclosed
US-9040626-B2 Nanofibers and morphology shifting micelles THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-26 US disclosed
US-20120149843-A1 NANOFIBERS AND MORPHOLOGY SHIFTING MICELLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-14 US disclosed
US-20120149843-A1 NANOFIBERS AND MORPHOLOGY SHIFTING MICELLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-14 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-20120149843-A1 NANOFIBERS AND MORPHOLOGY SHIFTING MICELLES MFAP1, LGALS4, TLN1 KDM4E 2687/4885LMNA 62/4885ALDH1A1 4735/4885

“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.