SCHEMBL28098

SCHEMBL28098

O=C(Cl)c1ccccc1C(=O)OCCCCCCCCCCOC(=O)c1ccccc1C(=O)Cl

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
TSHR P16473 7/20 0.69
LMNA P02545 2/20 0.69
CYP3A4 P08684 3/20 0.66
MAPK1 P28482 2/20 0.66
TP53 P04637 1/20 0.66
TDP1 Q9NUW8 4/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 2/20 0.55
POLB P06746 1/20 0.55
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS2 P35354 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
SCHEMBL8987694 0.92 ALDH1A1 (0.84) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL7759350 0.88 TSHR (0.83) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL11655445 0.85 ALDH1A1 (0.69) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28188145 0.83 ALDH1A1 (0.71) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL21143371 0.83 ALDH1A1 (0.71) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL1813573 0.83 ALDH1A1 (0.71) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL1395556 0.83 ALDH1A1 (0.71) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL684368 0.83 ALDH1A1 (0.71) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL11653034 0.83 TSHR (0.68) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL9694057 0.83 ALDH1A1 (0.87) ALDH1A1TSHRLMNACYP3A4MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507612-B2 Aziridine crosslinking agents for acrylic adhesives 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-08-13 US disclosed
EP-2406338-B1 AZIRIDINE CROSSLINKING AGENTS FOR ACRYLIC ADHESIVES 3M INNOVATIVE PROPERTIES CO (US) 2012-11-28 EP disclosed
EP-2406338-A1 AZIRIDINE CROSSLINKING AGENTS FOR ACRYLIC ADHESIVES 3M Innovative Properties Company (US) 2012-01-18 EP disclosed
WO-2010104645-A1 AZIRIDINE CROSSLINKING AGENTS FOR ACRYLIC ADHESIVES 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-09-16 WO disclosed
US-20100227969-A1 AZIRIDINE CROSSLINKING AGENTS FOR ACRYLIC ADHESIVES 3M INNOVATIVE PROPERTIES COMPANY 2010-09-09 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 (1 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-20100227969-A1 AZIRIDINE CROSSLINKING AGENTS FOR ACRYLIC ADHESIVES AAAS, ADGRF1, CDH1 ALDH1A1 401/4885TSHR 4515/4885LMNA 1936/4885

“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.