SCHEMBL7808381

SCHEMBL7808381

CNC1(C(C)=O)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.34
CYP3A4 P08684 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 2/20 0.31
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL13127864 1.00 KMT2A (0.39) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL7806892 0.97 KDM4E (0.40) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL23240873 0.92
SCHEMBL8301886 0.87
SCHEMBL2837316 0.82 KMT2A (0.40) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL1226520 0.80 KMT2A (0.39) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL1226467 0.80 KMT2A (0.39) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
Bromide SCHEMBL16057314 0.80 KMT2A (0.39) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL1226440 0.79 KDM4E (0.41) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL18122821 0.78 KDM4E (0.63) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372536-A1 NANOMATERIAL AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT 2023-11-23 US disclosed
US-20230372536-A1 NANOMATERIAL AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT 2023-11-23 US disclosed
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-07-27 US disclosed
US-11638715-B2 Orally-bioavailable nucleoside analogs VenatoRx Pharmaceuticals, Inc. (US) 2023-05-02 US disclosed
US-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2023-04-27 US disclosed
EP-3052121-B1 WNT COMPOSITIONS AND METHODS FOR PURIFICATION UNIV LELAND STANFORD JUNIOR (US) 2023-02-22 EP disclosed
US-20230024722-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-01-26 US disclosed
US-20210299211-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2021-09-30 US disclosed
US-11091522-B2 Peptidomimetic macrocycles and uses thereof AILERON THERAPEUTICS, INC. (US) 2021-08-17 US disclosed
US-11008366-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2021-05-18 US disclosed
US-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-20120264693-A1 COMPOUNDS ACTING AS PEPTIDE GAP JUNCTION MODULATORS, AND USES THEREOF ZEALAND PHARMA A/S (DK) 2012-10-18 US disclosed
US-20120264693-A1 COMPOUNDS ACTING AS PEPTIDE GAP JUNCTION MODULATORS, AND USES THEREOF ZEALAND PHARMA A/S (DK) 2012-10-18 US disclosed
WO-2010142293-A1 COMPOUNDS ACTING AS PEPTIDE GAP JUNCTION MODULATORS, AND USES THEREOF ZEALAND PHARMA A/S (DK) 2010-12-16 WO disclosed
EP-2260859-A1 Compounds acting as peptide gap junction modulators and their uses Zealand Pharma A/S (DK) 2010-12-15 EP disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-7759459-B2 Fluorescent assays for protein kinases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-07-20 US disclosed
US-7759459-B2 Fluorescent assays for protein kinases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-07-20 US disclosed
US-20100130581-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN THE UNIVERSITY OF QUEENSLAND 2010-05-27 US disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO 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 (12 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-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF MDM2, TP53, TP53BP1 KMT2A 3419/4885KDM4E 4317/4885ALDH1A1 4716/4885
US-20120264693-A1 COMPOUNDS ACTING AS PEPTIDE GAP JUNCTION MODULATORS, AND USES THEREOF GJA1, GJB2, GAP43 KMT2A 4875/4885KDM4E 4798/4885ALDH1A1 4600/4885
US-20230024722-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP KMT2A 3232/4885KDM4E 3750/4885ALDH1A1 2219/4885
US-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 KMT2A 3834/4885KDM4E 3330/4885ALDH1A1 302/4885
US-20230372536-A1 NANOMATERIAL AND METHODS OF USE THEREOF ILK, EPCAM, MMP8 KMT2A 2741/4885KDM4E 2617/4885ALDH1A1 1432/4885
US-20100130581-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN OPRL1, CRH, OPRK1 KMT2A 3776/4885KDM4E 4076/4885ALDH1A1 2824/4885
US-20210299211-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF MDM2, TP53, TP53BP1 KMT2A 3419/4885KDM4E 4317/4885ALDH1A1 4716/4885
US-11091522-B2 Peptidomimetic macrocycles and uses thereof FLT3, BID, GRPR KMT2A 3973/4885KDM4E 4575/4885ALDH1A1 4687/4885
US-11008366-B2 Peptidomimetic macrocycles GLP1R, PROKR1, VIP KMT2A 4189/4885KDM4E 4706/4885ALDH1A1 4756/4885
US-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES GHRHR, GHSR, GHITM KMT2A 3763/4885KDM4E 4259/4885ALDH1A1 4843/4885
US-11638715-B2 Orally-bioavailable nucleoside analogs SLC29A2, SLC29A1, PNP KMT2A 3232/4885KDM4E 3750/4885ALDH1A1 2219/4885
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP KMT2A 3232/4885KDM4E 3750/4885ALDH1A1 2219/4885

“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.