SCHEMBL10105412

SCHEMBL10105412

COCc1ccc(N(c2ccc(COC)cc2)c2ccc(-c3ccc(N(c4ccc(COC)cc4)c4ccc(COCc5ccc(N(c6ccc(COCc7ccc(N(c8ccc(COCc9ccc(N(c%10ccc(COCc%11ccc(N(c%12ccc(COC)cc%12)c%12ccc(-c%13ccc(N(c%14ccc(COC)cc%14)c%14ccc(COC)cc%14)cc%13)cc%12)cc%11)cc%10)c%10ccc(-c%11ccc(N(c%12ccc(COC)cc%12)c%12ccc(COC)cc%12)cc%11)cc%10)cc9)cc8)c8ccc(-c9ccc(N(c%10ccc(COC)cc%10)c%10ccc(COC)cc%10)cc9)cc8)cc7)cc6)c6ccc(-c7ccc(N(c8ccc(COC)cc8)c8ccc(COC)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.38
PTGS2 P35354 1/20 0.37
TSHR P16473 2/20 0.37
HRH3 Q9Y5N1 4/20 0.36
GPR88 Q9GZN0 4/20 0.35
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34
KCNH2 Q12809 1/20 0.33
CHEK1 O14757 1/20 0.32
FAAH O00519 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL308112 0.94 ERN1 (0.41) ERN1PTGS2TSHRHRH3GPR88
SCHEMBL13681239 0.89 ERN1 (0.38) ERN1PTGS2TSHRHRH3GPR88
SCHEMBL15849135 0.89 ERN1 (0.38) ERN1PTGS2TSHRHRH3GPR88
SCHEMBL279311 0.89 ERN1 (0.38) ERN1PTGS2TSHRHRH3GPR88
SCHEMBL10105416 0.89 ERN1 (0.38) ERN1PTGS2TSHRHRH3GPR88
SCHEMBL13164336 0.88 PTGS2 (0.36) ERN1PTGS2TSHRHRH3GPR88
SCHEMBL279357 0.88 APP (0.37) ERN1PTGS2TSHRIDO1AGXT
SCHEMBL10330363 0.87 IDO1 (0.46) ERN1PTGS2GPR88IDO1AGXT
SCHEMBL279197 0.87 IDO1 (0.50) ERN1TSHRGPR88IDO1AGXT
SCHEMBL279055 0.87 AGXT (0.44) ERN1PTGS2TSHRHRH3AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394495-B2 Composite structured organic films XEROX CORPORATION (US) 2013-03-12 US disclosed
US-8093347-B2 Structured organic films XEROX CORPORATION (US) 2012-01-10 US disclosed
US-20100227998-A1 STRUCTURED ORGANIC FILMS XEROX CORPORATION (US) 2010-09-09 US disclosed
US-20100227157-A1 COMPOSITE STRUCTURED ORGANIC FILMS XEROX CORPORATION (US) 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-20100227998-A1 STRUCTURED ORGANIC FILMS VIM, PUF60, EPCAM ERN1 3053/4885PTGS2 4151/4885TSHR 4802/4885

“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.