SCHEMBL14213239

SCHEMBL14213239

CCc1cccc(Cc2cccc(Cc3cccc(Cc4cccc(C)c4OCC(=O)NCCN)c3O)c2OCC(=O)NCCN)c1O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.39
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LGALS1 P09382 1/20 0.37
ALPL P05186 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
NOTUM Q6P988 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
SCHEMBL13992490 0.99 KMT2A (0.46) KMT2APTGDR2ALDH1A1THRBMEN1
SCHEMBL14213247 0.93 KMT2A (0.43) KMT2APTGDR2ALDH1A1THRBMEN1
SCHEMBL10046741 0.92 KMT2A (0.43) KMT2APTGDR2ALDH1A1THRBMEN1
SCHEMBL13992489 0.86 LGALS1 (0.55) KMT2APTGDR2ALDH1A1THRBMEN1
SCHEMBL16501695 0.84 KMT2A (0.40) KMT2AALDH1A1THRBMEN1SMN1; SMN2
SCHEMBL10046775 0.83 KMT2A (0.51) KMT2APTGDR2ALDH1A1THRBMEN1
SCHEMBL16501698 0.81 GABRA1 (0.46) KMT2APTGDR2ALDH1A1MEN1SMN1; SMN2
SCHEMBL14213241 0.81 LGALS1 (0.54) KMT2AALDH1A1THRBTSHRPOLB
SCHEMBL10046760 0.80 GABRA1 (0.47) ALDH1A1SMN1; SMN2TSHRGABRA1GABRB2
SCHEMBL10046739 0.79 LGALS1 (0.55) KMT2AALDH1A1THRBTSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716343-B2 Calixarene-based peptide conformation mimetics, methods of use, and methods of making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-05-06 US disclosed
US-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2012-12-06 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-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING CLSPN, BID, CALU KMT2A 4742/4885PTGDR2 1955/4885ALDH1A1 4794/4885

“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.