SCHEMBL10046741

SCHEMBL10046741

CCc1cccc(Cc2cccc(C)c2O)c1OCC(=O)NCCN

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ USP2 O75604 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ LGALS1 P09382 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL14213247 0.99 KMT2A (0.43) KMT2AUSP2HSD17B10TSHRMEN1
SCHEMBL14213239 0.92 KMT2A (0.45) KMT2AUSP2HSD17B10TSHRMEN1
SCHEMBL13992490 0.91 KMT2A (0.46) KMT2AUSP2HSD17B10TSHRMEN1
SCHEMBL16501695 0.89 KMT2A (0.40) KMT2AUSP2HSD17B10TSHRMEN1
SCHEMBL10046739 0.87 LGALS1 (0.55) KMT2AUSP2HSD17B10TSHRLGALS1
SCHEMBL14213241 0.86 LGALS1 (0.54) KMT2AUSP2HSD17B10TSHRLGALS1
SCHEMBL10046775 0.82 KMT2A (0.51) KMT2ATSHRMEN1LGALS1THRB
SCHEMBL13992489 0.78 LGALS1 (0.55) KMT2ATSHRMEN1LGALS1THRB
SCHEMBL14213234 0.73 LMNA (0.36) KMT2ATSHRALDH1A1LMNAHTT
SCHEMBL13992476 0.72 LGALS1 (0.63) KMT2ATSHRMEN1LGALS1THRB

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-8207228-B2 Calixarene-based peptide conformation mimetics, methods of use, and methods of making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2012-06-26 — — US disclosed
US-20080300164-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-12-04 — — 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-20080300164-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making CLSPN, BID, CALU KMT2A 4742/4885USP2 4076/4885HSD17B10 3901/4885

“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.

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