SCHEMBL9925959

SCHEMBL9925959

NCCNC(=O)C1CC=CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
ESR2 Q92731 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 1/20 0.38
MC4R P32245 1/20 0.35
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
POLB P06746 2/20 0.33

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
SCHEMBL13528437 0.87 MC4R (0.39) KMT2AMEN1ALDH1A1ALOX15HSD17B10
SCHEMBL23374501 0.83 HSD17B10 (0.46) KMT2AMEN1ALDH1A1MAPTALOX15
SCHEMBL2404722 0.83 HSD17B10 (0.46) KMT2AMEN1ALDH1A1MAPTALOX15
SCHEMBL19974223 0.80 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPTALOX15
SCHEMBL12901887 0.79 MEN1 (0.43) KMT2AMEN1ALDH1A1MAPTALOX15
SCHEMBL671223 0.79 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1MAPTALOX15
SCHEMBL21538127 0.78 KMT2A (0.38) KMT2ARAB9AMC4RGNAI3GNAO1
SCHEMBL2407153 0.78 NAAA (0.60) GNAI3GNAO1GNAI1POLBNAAA
SCHEMBL4679423 0.77
SCHEMBL31299205 0.76 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 2800/4885MEN1 412/4885ALDH1A1 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.