SCHEMBL9924682

SCHEMBL9924682

O=C(NCCNC(=O)C1CC2C=CC1C2)c1ccc(CBr)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 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 0.37
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KDR P35968 1/20 0.35
KDM1A O60341 1/20 0.34

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
SCHEMBL25362014 0.82 ESR1 (0.48) KDM4ELMNAESR1KMT2APOLB
SCHEMBL26031798 0.82 ESR1 (0.48) KDM4ELMNAESR1KMT2APOLB
SCHEMBL9924686 0.76 KDM4E (0.54) KDM4ELMNAESR1KMT2APOLB
SCHEMBL11064771 0.72 KDM4E (0.61) KDM4ELMNAESR1KMT2APOLB
SCHEMBL11064769 0.72 KDM4E (0.61) KDM4ELMNAESR1KMT2APOLB
SCHEMBL30956297 0.72 ALPG (0.53) KDM4ELMNAESR1KMT2AALDH1A1
SCHEMBL24649642 0.72 ALPG (0.53) KDM4ELMNAESR1KMT2AALDH1A1
SCHEMBL9924679 0.71 KDM4E (0.59) KDM4ELMNAESR1KMT2APOLB
SCHEMBL14392991 0.71 KDM4E (0.59) KDM4ELMNAESR1KMT2APOLB
SCHEMBL10124090 0.71 KDM4E (0.59) KDM4ELMNAESR1KMT2APOLB

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 62/4885ESR1 2210/4885

“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.