SCHEMBL992057

SCHEMBL992057

O=C=Nc1ccc(N2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TRIM24 O15164 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 2/20 0.47
HSP90AA1 P07900 1/20 0.47
CCR6 P51684 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALOX15 P16050 3/20 0.47
TP53 P04637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL28954366 0.98 TRIM24 (0.52) ALDH1A1KDM4ESMN1; SMN2TRIM24TRIM33
SCHEMBL2717608 0.83 MAPT (0.47) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL519497 0.81 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
Cyclohexane SCHEMBL1006843 0.81 CYP3A4 (0.61) ALDH1A1TDP1CYP3A4TSHRCYP1A2
SCHEMBL13664661 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2TRIM24TRIM33
SCHEMBL28040784 0.79 GAA (0.57) KDM4ESMN1; SMN2TDP1LMNAMAPT
SCHEMBL4759852 0.79 MAPT (0.43) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL28462797 0.78 P2RY6 (0.45) ALDH1A1KDM4ESMN1; SMN2TRIM24TRIM33
SCHEMBL12727103 0.78 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2TRIM24TRIM33
SCHEMBL254991 0.78 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2TRIM24TRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718590-B2 Compound, derivatization reagent, and method for synthesizing compound TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2023-08-08 US disclosed
EP-2456780-B1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR TREATING DISEASES BAYER IP GMBH (DE) 2017-09-20 EP disclosed
CN-102596985-B 17-hydroxy-17-pentafluoroethyl-estra-4, 9(10) -dien-11-aryl derivatives, method for the production thereof and use thereof for treating diseases 拜耳知识产权有限责任公司 2017-05-24 CN disclosed
CN-106046100-A 17-hydroxy-17-pentafluorethyl-estra-4,9(10)-dien-11-aryl derivatives, methods for the production thereof and the use thereof for treating diseases 拜耳知识产权有限责任公司 2016-10-26 CN disclosed
CN-102471365-B 17-hydroxy-17-pentafluorethyl female-4,9 (10)-diene 11-acetylenylbenzene radical derivative, its preparation method and the application in treatment illness thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-20 CN disclosed
US-9206219-B2 17-hydroxy-17-pentafluorethyl-estra-4,9(10)-dien-11-aryl derivatives, methods for the production thereof and the use thereof for treating diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US disclosed
US-9156877-B2 17-hydroxy-17-pentafluorethyl-estra-4,9(10)-dien-11-benzylidene derivatives, methods for the production thereof and use thereof for treating diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-13 US disclosed
EP-2456783-B1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ETHINYLPHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES BAYER IP GMBH (DE) 2015-08-19 EP disclosed
EP-2456782-B1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-BENZYLIDENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES BAYER IP GMBH (DE) 2015-08-19 EP disclosed
US-9102701-B2 17-hydroxy-17-pentafluoroethyl-estra-4,9(10)-diene-11-ethynylphenyl derivatives, methods for the production thereof and use thereof for treating diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-11 US disclosed
EP-2456780-A2 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR TREATING DISEASES Bayer Pharma Aktiengesellschaft (DE) 2012-05-30 EP disclosed
EP-2456782-A2 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-BENZYLIDENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES Bayer Pharma Aktiengesellschaft (DE) 2012-05-30 EP disclosed
WO-2011009532-A2 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-BENZYLIDENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 WO disclosed
WO-2011009534-A2 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR TREATING DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 WO disclosed
WO-2011009533-A2 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ETHINYLPHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 WO disclosed
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 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 (3 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 ALDH1A1 1732/4885KDM4E 1934/4885SMN1; SMN2 3140/4885
US-11718590-B2 Compound, derivatization reagent, and method for synthesizing compound NAT1, DHPS, FDFT1 ALDH1A1 25/4885KDM4E 1369/4885SMN1; SMN2 3059/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH ALDH1A1 2546/4885KDM4E 3541/4885SMN1; SMN2 1943/4885

“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.