SCHEMBL12873284

SCHEMBL12873284

CCOc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OC)cc2OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ MDM2 Q00987 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ FABP5 Q01469 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ MDM4 O15151 1/20 0.39

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
SCHEMBL12555211 0.94 KMT2A (0.47) KMT2AMEN1MDM2ALDH1A1KDM4E
SCHEMBL16316701 0.94 KMT2A (0.42) LMNAKMT2AMEN1MDM2ALDH1A1
SCHEMBL12894102 0.93 LMNA (0.45) LMNAKMT2AMEN1MDM2ALDH1A1
SCHEMBL1745934 0.92 KMT2A (0.45) LMNAKMT2AMEN1MDM2ALDH1A1
SCHEMBL20143503 0.92 KMT2A (0.42) LMNAKMT2AMEN1MDM2CASP3
SCHEMBL31146900 0.92 KMT2A (0.45) LMNAKMT2AMEN1MDM2ALDH1A1
SCHEMBL3367289 0.92 KMT2A (0.45) LMNAKMT2AMEN1MDM2ALDH1A1
SCHEMBL29470540 0.92 KMT2A (0.45) LMNAKMT2AMEN1MDM2ALDH1A1
SCHEMBL14416300 0.92 KMT2A (0.42) LMNAKMT2AMEN1MDM2ALDH1A1
SCHEMBL29368397 0.92 KMT2A (0.45) LMNAKMT2AMEN1MDM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244939-A1 NOVEL PEPTIDES THAT BIND TO THE ERYTHROPOIETIN RECEPTOR AFFYMAX, INC. (US) 2013-09-19 — — US disclosed
US-20130244939-A1 NOVEL PEPTIDES THAT BIND TO THE ERYTHROPOIETIN RECEPTOR AFFYMAX, INC. (US) 2013-09-19 — — US disclosed
US-20130130979-A1 PEPTIDES THAT BIND TO THE ERYTHROPOIETIN RECEPTOR AFFYMAX, INC. (US) 2013-05-23 — — US disclosed
US-8071541-B2 Methods for preparing internally constrained peptides and peptidomimetics AILERON THERAPEUTICS, INC. (US) 2011-12-06 — — US disclosed
US-7887845-B2 Particle of a solid dispersion composed of a water soluble polymer and etravirine or salt thereof; etravirine FDA Orange book listed patent JANSSEN PHARMACEUTICA NV (BE) 2011-02-15 — — US disclosed
US-20100234563-A1 Methods for Preparing Internally Constrained Peptides and Peptidomimetics NEW YORK UNIVERSITY 2010-09-16 — — US disclosed
US-20100172970-A1 ANTIVIRAL COMPOSITIONS VERRECK GEERT 2010-07-08 — — US disclosed
US-7741280-B2 Multimeric molecules, the preparation method thereof and use of same for the preparation of medicaments CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-06-22 — — US disclosed
US-7528104-B2 Peptides that bind to the erythropoietin receptor AFFYMAX, INC. (US) 2009-05-05 — — US disclosed
US-20080090760-A2 Compositions and Methods for Inhibiting Cellular Proliferation HEMBROUGH TODD 2008-04-17 — — US disclosed
US-7285552-B2 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2007-10-23 — — US disclosed
US-20070197772-A1 METHODS FOR PREPARING INTERNALLY CONSTRAINED PEPTIDES AND PEPTIDOMIMETICS NEW YORK UNIVERSITY (US) 2007-08-23 — — US disclosed
US-7202332-B2 Methods for preparing internally constrained peptides and peptidomimetics NEW YORK UNIVERSITY (US) 2007-04-10 — — US disclosed
US-7202332-B2 Methods for preparing internally constrained peptides and peptidomimetics NEW YORK UNIVERSITY (US) 2007-04-10 — — US disclosed
US-20070027074-A1 Novel peptides that bind to the erythropoietin receptor AFFYMAX, INC. (US) 2007-02-01 — — 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 (7 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-20100234563-A1 Methods for Preparing Internally Constrained Peptides and Peptidomimetics VIP, IAPP, PTMA LMNA 65/4885KMT2A 4780/4885MEN1 528/4885
US-20130244939-A1 NOVEL PEPTIDES THAT BIND TO THE ERYTHROPOIETIN RECEPTOR EPOR, PROKR1, EDNRB LMNA 4428/4885KMT2A 4517/4885MEN1 3831/4885
US-20130130979-A1 PEPTIDES THAT BIND TO THE ERYTHROPOIETIN RECEPTOR EPOR, PROKR1, EDNRB LMNA 4124/4885KMT2A 4254/4885MEN1 3427/4885
US-20070027074-A1 Novel peptides that bind to the erythropoietin receptor EPOR, PROKR1, EDNRB LMNA 4428/4885KMT2A 4517/4885MEN1 3831/4885
US-20070197772-A1 METHODS FOR PREPARING INTERNALLY CONSTRAINED PEPTIDES AND PEPTIDOMIMETICS VIP, IAPP, PTMA LMNA 65/4885KMT2A 4780/4885MEN1 528/4885
US-20080090760-A2 Compositions and Methods for Inhibiting Cellular Proliferation MKI67, VEGFA, HDGF LMNA 1836/4885KMT2A 4395/4885MEN1 1098/4885
US-20100172970-A1 ANTIVIRAL COMPOSITIONS EIF2AK2, ZC3HAV1, RPL35 LMNA 2758/4885KMT2A 4564/4885MEN1 3748/4885

“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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