SCHEMBL992745

SCHEMBL992745

Cc1nccn1CCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
ESR1 P03372 1/20 0.61
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 3/20 0.55
POLB P06746 1/20 0.55
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
TSHR P16473 1/20 0.46
FDPS P14324 1/20 0.46
MAPK1 P28482 1/20 0.46
ALPL P05186 2/20 0.44
ALPG P10696 2/20 0.44
ALPI P09923 1/20 0.44
PLAA Q9Y263 1/20 0.44
GFER P55789 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL26488900 0.89 ALDH1A1 (0.61) SMN1; SMN2ESR1KMT2AALDH1A1POLB
SCHEMBL4298077 0.85 KMT2A (0.57) SMN1; SMN2ESR1KMT2AALDH1A1POLB
Hydrochloric Acid SCHEMBL3122278 0.85 ALDH1A1 (0.56) SMN1; SMN2ESR1KMT2AALDH1A1POLB
SCHEMBL1178451 0.84 KMT2A (0.56) SMN1; SMN2ESR1KMT2AALDH1A1POLB
SCHEMBL23723498 0.83 KMT2A (0.52) SMN1; SMN2ESR1KMT2AALDH1A1POLB
Oxalic Acid SCHEMBL10364075 0.82 ALDH1A1 (0.51) SMN1; SMN2ESR1KMT2AALDH1A1POLB
SCHEMBL16019687 0.81 ALDH1A1 (0.51) SMN1; SMN2ESR1KMT2AALDH1A1POLB
SCHEMBL369240 0.81 ALPL (0.54) SMN1; SMN2ESR1KMT2AALDH1A1POLB
SCHEMBL2962697 0.81 KMT2A (0.57) SMN1; SMN2ESR1KMT2AALDH1A1POLB
SCHEMBL6947633 0.80 ESR1 (0.52) ESR1KMT2AALDH1A1POLBALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456781-B1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES BAYER IP GMBH (DE) 2017-06-21 EP claimed
US-9096639-B2 17-hydroxy-17-pentafluorethyl-estra-4,9(10)-dien-11-acyloxyalkylene phenyl derivatives, methods for the production thereof and use thereof for treating diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US claimed
US-20120232042-A1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-13 US claimed
EP-2456781-A2 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES Bayer Pharma Aktiengesellschaft (DE) 2012-05-30 EP claimed
WO-2011009530-A2 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 WO claimed
EP-0669357-B1 N-alkyl-n'-aryl-p-phenylenediamines as modifiers for epoxy resins CIBA SC HOLDING AG (CH) 1999-11-24 EP claimed
US-5503936-A CURING A MIXTURE OF GLYCIDYL ETHER OR AROMATIC AMINE, A HARDENER OR CURING AGENT AND N-1,3-DIMETHYLBUTYL-N'-DIMETH-YL-BUTYL-N'- OR N,N'-BIS(1,4-DIMETHYLPENTYL-P-PHENYLENEDIAMINE; COMPOSITES; STRENGTH CIBA-GEIGY CORPORATION (US) 1996-04-02 US claimed
EP-0669357-A2 N-alkyl-n'-aryl-p-phenylenediamines as modifiers for epoxy resins CIBA-GEIGY AG (CH) 1995-08-30 EP claimed
US-9757944-B2 Liquid jet head and method for producing same, and liquid jet apparatus and image forming apparatus RICOH COMPANY, LTD. (JP) 2017-09-12 US disclosed
EP-2456781-B1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES BAYER IP GMBH (DE) 2017-06-21 EP disclosed
US-20170043580-A1 LIQUID JET HEAD AND METHOD FOR PRODUCING SAME, AND LIQUID JET APPARATUS AND IMAGE FORMING APPARATUS RICOH COMPANY, LTD. (JP) 2017-02-16 US disclosed
US-9096639-B2 17-hydroxy-17-pentafluorethyl-estra-4,9(10)-dien-11-acyloxyalkylene phenyl derivatives, methods for the production thereof and use thereof for treating diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-8921555-B2 Substituted-1,3,8-triazaspiro[4.5]decane-2,4-diones MERCK SHARP & DOHME CORP. (US) 2014-12-30 US disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
US-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-24 US disclosed
WO-2009152171-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-17 WO disclosed
EP-0669357-B1 N-alkyl-n'-aryl-p-phenylenediamines as modifiers for epoxy resins CIBA SC HOLDING AG (CH) 1999-11-24 EP disclosed
US-5503936-A CURING A MIXTURE OF GLYCIDYL ETHER OR AROMATIC AMINE, A HARDENER OR CURING AGENT AND N-1,3-DIMETHYLBUTYL-N'-DIMETH-YL-BUTYL-N'- OR N,N'-BIS(1,4-DIMETHYLPENTYL-P-PHENYLENEDIAMINE; COMPOSITES; STRENGTH CIBA-GEIGY CORPORATION (US) 1996-04-02 US disclosed
EP-0669357-A2 N-alkyl-n'-aryl-p-phenylenediamines as modifiers for epoxy resins CIBA-GEIGY AG (CH) 1995-08-30 EP disclosed
EP-0258033-A2 Dihydropyridine anti-allergic and anti-inflammatory agents Pfizer Limited (GB) 1988-03-02 EP 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 (2 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-20120232042-A1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES CYP19A1, HSD17B11, SHBG SMN1; SMN2 2299/4885ESR1 11/4885KMT2A 320/4885
US-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY ADRB1, ADRB2, ADRB3 SMN1; SMN2 2544/4885ESR1 480/4885KMT2A 4412/4885

“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.