SCHEMBL4892572

SCHEMBL4892572

C=C(C#N)C(=O)OCCCOCCC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
ALDH1A1 P00352 2/20 0.58
THRB P10828 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.34
HPGD P15428 1/20 0.33
DNM1 Q05193 1/20 0.32
ATM Q13315 1/20 0.32
DPP4 P27487 1/20 0.31
NAAA Q02083 1/20 0.31
TP53 P04637 1/20 0.30
RAD52 P43351 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
EPHX2 P34913 1/20 0.30
CES2 O00748 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
SCHEMBL4888255 0.93 TSHR (0.58) TSHRALDH1A1THRBZDHHC20HPGD
SCHEMBL21932802 0.90 TSHR (0.62) TSHRALDH1A1THRBZDHHC20HPGD
SCHEMBL4892534 0.90 TSHR (0.58) TSHRALDH1A1THRBZDHHC20HPGD
SCHEMBL605391 0.90 TSHR (0.61) TSHRALDH1A1THRBZDHHC20TP53
SCHEMBL4888155 0.88 ALDH1A1 (0.65) TSHRALDH1A1THRBHPGDDNM1
SCHEMBL21932807 0.87 TSHR (0.58) TSHRALDH1A1THRBZDHHC20HPGD
SCHEMBL28709225 0.87 TSHR (0.58) TSHRALDH1A1THRBZDHHC20HPGD
SCHEMBL21932826 0.87 TSHR (0.53) TSHRALDH1A1THRBDNM1
SCHEMBL28362669 0.87 TSHR (0.53) TSHRALDH1A1THRBDNM1
SCHEMBL35575 0.87 TSHR (0.58) TSHRALDH1A1THRBZDHHC20HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1239653-C Cyanoacrylate compositions, reaction products, methods of preparation and uses thereof LOCTITE R & D LTD (IE) 2006-02-01 CN claimed
CN-1487983-A Cyanoacrylate compositions curable to flexible polymeric materials ���̩��(R&D)���޹�˾ 2004-04-07 CN claimed
CN-113874459-A Flexible photocurable cyanoacrylate compositions 汉高知识产权控股有限责任公司 2021-12-31 CN disclosed
CN-105246872-B Cyanoacrylate compositions 汉高知识产权控股有限责任公司 2019-08-13 CN disclosed
US-20180340130-A1 LUBRICANT COMPOSITION NOK KLUBER., LTD (JP) 2018-11-29 US disclosed
CN-105246872-A Cyanoacrylate compositions Henkel US IP LLC 2016-01-13 CN disclosed
US-9096778-B2 Cyanoacrylate adhesive with improved water resistance Henkel IP & Holding GmbH (DE) 2015-08-04 US disclosed
CN-103476885-B Cyanoacrylate adhesive with improved water resistance HENKEL IP HOLDING LTD 2015-06-10 CN disclosed
CN-103476885-A Cyanoacrylate adhesive with improved water resistance HENKEL IRELAND LTD 2013-12-25 CN disclosed
EP-2511355-B1 Cyanoacrylate adhesive with improved water resistance HENKEL IRELAND LTD (DE) 2013-10-23 EP disclosed
US-20130174981-A1 CYANOACRYLATE ADHESIVE WITH IMPROVED WATER RESISTANCE HENKEL IRELAND LIMITED (DE) 2013-07-11 US disclosed
US-20080293872-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-27 US disclosed
US-20080287574-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-20 US disclosed
CN-101305040-A Binding agent, sealant and paint containing glass particle as filling material HENKEL AG & CO KGAA (DE) 2008-11-12 CN disclosed
CN-101305064-A Binding agent, sealant and paint containing glass particle as filling material HENKEL AG & CO KGAA (DE) 2008-11-12 CN disclosed
US-20060210528-A1 Therapy for tropical diseases ASPIRE BIOTECH, INC. 2006-09-21 US disclosed
CN-1239653-C Cyanoacrylate compositions, reaction products, methods of preparation and uses thereof LOCTITE R & D LTD (IE) 2006-02-01 CN disclosed
CN-1487983-A Cyanoacrylate compositions curable to flexible polymeric materials ���̩��(R&D)���޹�˾ 2004-04-07 CN disclosed
US-20030143189-A1 Therapy for topical diseases ASPIRE BIOTECH, INC. 2003-07-31 US disclosed
WO-2003041686-A2 IMPROVED THERAPY FOR TOPICAL DISEASES MEDLOGIC GLOBAL LIMITED (GB) 2003-05-22 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 (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-20060210528-A1 Therapy for tropical diseases TSLP, TLR3, CUTA TSHR 3945/4885ALDH1A1 2037/4885THRB 3548/4885
US-20030143189-A1 Therapy for topical diseases TSLP, KRT18, CUTA TSHR 4726/4885ALDH1A1 1518/4885THRB 3938/4885

“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.