SCHEMBL10092557

SCHEMBL10092557

CC(C)NCCOCCNC(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1B P28222 3/20 0.38
ADRB2 P07550 3/20 0.34
NR2E1 Q9Y466 1/20 0.33
HTR1A P08908 1/20 0.32
ADRB1 P08588 2/20 0.32

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
SCHEMBL22930120 0.97 KDM4E (0.44) KDM4ECYP1A2CYP2D6CYP2C19POLB
SCHEMBL22837632 0.97 KDM4E (0.44) KDM4ECYP1A2CYP2D6CYP2C19POLB
SCHEMBL10914222 0.97 KDM4E (0.44) KDM4ECYP1A2CYP2D6CYP2C19POLB
SCHEMBL18908652 0.97 KDM4E (0.44) KDM4ECYP1A2CYP2D6CYP2C19POLB
SCHEMBL18908756 0.97 KDM4E (0.44) KDM4ECYP1A2CYP2D6CYP2C19POLB
SCHEMBL18908660 0.97 KDM4E (0.44) KDM4ECYP1A2CYP2D6CYP2C19POLB
SCHEMBL20562604 0.92 KDM4E (0.39) KDM4ECYP1A2CYP2D6CYP2C19POLB
SCHEMBL12380197 0.89 HSD17B10 (0.41) KDM4ECYP1A2CYP2D6CYP2C19POLB
SCHEMBL20562681 0.89 KDM4E (0.41) KDM4ECYP1A2CYP2D6CYP2C19POLB
SCHEMBL20562213 0.89 KDM4E (0.41) KDM4ECYP1A2CYP2D6CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356014-A1 ABSORPTION AGENT AND A METHOD FOR SELECTIVELY REMOVING HYDROGEN SULPHIDE BASF SE (DE) 2018-08-08 EP claimed
CN-108025248-A Absorbent and process for selective removal of hydrogen sulfide 巴斯夫欧洲公司 2018-05-11 CN claimed
US-20220017432-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2022-01-20 US disclosed
CN-108367232-B Acid gas enrichment method and system 巴斯夫欧洲公司 2021-06-01 CN disclosed
US-10913752-B2 Bivalent bromodomain inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-09 US disclosed
US-10875769-B2 Acid gas enrichment method and system BASF SE (DE) 2020-12-29 US disclosed
US-20200255291-A1 ACID GAS ENRICHMENT METHOD AND SYSTEM BASF SE (DE) 2020-08-13 US disclosed
US-20200172553-A9 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-04 US disclosed
EP-3386608-B1 METHOD AND INSTALLATION FOR ACID GAS ENRICHMENT BASF SE (DE) 2020-03-18 EP disclosed
US-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2019-06-06 US disclosed
EP-3386608-A1 ACID GAS ENRICHMENT METHOD AND SYSTEM BASF SE (DE) 2018-10-17 EP disclosed
US-8034898-B2 Methods of collagen imaging Collagen Medical, LLC (US) 2011-10-11 US disclosed
US-20100221261-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-09-02 US disclosed
US-7645741-B2 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates AEGERA THERAPEUTICS, INC. 2010-01-12 US disclosed
US-7579320-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2009-08-25 US disclosed
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates PHARMASCIENCE INC. (CA) 2008-08-28 US disclosed
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents AEGERA THERAPEUTICS, INC. (CA) 2008-03-20 US disclosed
US-20080058636-A1 METHODS OF MYOCARDIAL IMAGING EPIX PHARMACEUTICALS, INC. 2008-03-06 US disclosed
US-20080044360-A1 METHODS OF COLLAGEN IMAGING EPIX PHARMACEUTICALS, INC. 2008-02-21 US disclosed
US-20070293656-A1 COLLAGEN BINDING PEPTIDES EPIX PHARMACEUTICALS, INC. 2007-12-20 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 (10 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-10913752-B2 Bivalent bromodomain inhibitors and uses thereof BRD4, BRD2, BET1 KDM4E 539/4885CYP1A2 2291/4885CYP2D6 2286/4885
US-20100221261-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 KDM4E 4603/4885CYP1A2 4826/4885CYP2D6 4776/4885
US-20220017432-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS KDM4E 4760/4885CYP1A2 708/4885CYP2D6 345/4885
US-20200172553-A9 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BET1, BRD2 KDM4E 607/4885CYP1A2 2608/4885CYP2D6 2621/4885
US-20080058636-A1 METHODS OF MYOCARDIAL IMAGING FABP3, TNNI3, TNNT2 KDM4E 4464/4885CYP1A2 4725/4885CYP2D6 4400/4885
US-20080044360-A1 METHODS OF COLLAGEN IMAGING COL14A1, COL2A1, COL1A1 KDM4E 4372/4885CYP1A2 4822/4885CYP2D6 4837/4885
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents BIRC5, XIAP, BIRC2 KDM4E 4355/4885CYP1A2 4758/4885CYP2D6 4622/4885
US-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS KDM4E 4760/4885CYP1A2 708/4885CYP2D6 345/4885
US-20070293656-A1 COLLAGEN BINDING PEPTIDES COL14A1, COL2A1, COL1A1 KDM4E 4176/4885CYP1A2 4843/4885CYP2D6 4813/4885
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates BIRC5, XIAP, BAX KDM4E 4425/4885CYP1A2 4166/4885CYP2D6 3927/4885

“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.