SCHEMBL5050892

SCHEMBL5050892

CNCCCCCCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.63
KDM4C Q9H3R0 1/20 0.63
ADRA1A P35348 1/20 0.61
TSHR P16473 5/20 0.60
LMNA P02545 2/20 0.60
NFKB1 P19838 1/20 0.60
PMP22 Q01453 1/20 0.60
PRMT1 Q99873 1/20 0.60
GPR84 Q9NQS5 7/20 0.54
PPARG P37231 7/20 0.54
PPARD Q03181 7/20 0.54
PPARA Q07869 7/20 0.54
HDAC11 Q96DB2 5/20 0.54
PTPN1 P18031 3/20 0.54
ALDH1A1 P00352 2/20 0.54
TLR2 O60603 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
FABP4 P15090 2/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54

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
SCHEMBL889830 1.00 KDM4A (0.63) KDM4AKDM4CADRA1ATSHRLMNA
SCHEMBL8389930 1.00 KDM4A (0.63) KDM4AKDM4CADRA1ATSHRLMNA
SCHEMBL28786185 1.00 KDM4A (0.63) KDM4AKDM4CADRA1ATSHRLMNA
SCHEMBL8039895 1.00 KDM4A (0.63) KDM4AKDM4CADRA1ATSHRLMNA
SCHEMBL6047707 1.00 KDM4A (0.63) KDM4AKDM4CADRA1ATSHRLMNA
SCHEMBL10145513 1.00 KDM4A (0.63) KDM4AKDM4CADRA1ATSHRLMNA
SCHEMBL17942985 1.00 KDM4A (0.63) KDM4AKDM4CADRA1ATSHRLMNA
Hydrochloric Acid SCHEMBL3484697 0.98 KDM4A (0.67) KDM4AKDM4CADRA1ATSHRLMNA
Hydrochloric Acid SCHEMBL4405208 0.98 KDM4A (0.67) KDM4AKDM4CADRA1ATSHRLMNA
SCHEMBL693740 0.97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111205244-B Thiazolo-ring compound, preparation method, intermediate and application thereof 上海科技大学 2023-08-18 CN disclosed
CN-113387938-A Substituted pyrimidine compound, preparation method, intermediate and application thereof 上海科技大学 2021-09-14 CN disclosed
CN-111205244-A Thiazolocyclic compound, preparation method, intermediate and application thereof 上海科技大学 2020-05-29 CN disclosed
US-10065133-B2 Separation material comprising phosphoryl choline derivatives PENTRACOR GMBH (DE) 2018-09-04 US disclosed
EP-3041852-B1 SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES PENTRACOR GMBH (DE) 2017-05-31 EP disclosed
US-20170120163-A1 SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES PENTRACOR GMBH (DE) 2017-05-04 US disclosed
US-20170097567-A1 METHOD FOR PRODUCING POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-04-06 US disclosed
US-20160229940-A1 POLYMER, RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-11 US disclosed
EP-3041852-A1 SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES Pentracor GmbH (DE) 2016-07-13 EP disclosed
US-9272242-B2 High cyclic capacity amines for high efficiency CO2 scrubbing processes EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2016-03-01 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 WO disclosed
US-20080125440-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-05-29 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 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 (4 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-20170120163-A1 SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES CHKA, PHOSPHO1, C3AR1 KDM4A 2414/4885KDM4C 1804/4885ADRA1A 1606/4885
US-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 KDM4A 2786/4885KDM4C 2644/4885ADRA1A 530/4885
US-10065133-B2 Separation material comprising phosphoryl choline derivatives CHKA, PHOSPHO1, CHKB KDM4A 2261/4885KDM4C 1538/4885ADRA1A 1938/4885
US-20080125440-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY LCK, ABL1, SRC KDM4A 397/4885KDM4C 604/4885ADRA1A 4529/4885

“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.