SCHEMBL3080648

SCHEMBL3080648

O=Cc1cc(Cl)ccc1CBr

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.52
TDP1 Q9NUW8 1/20 0.50
PTPN1 P18031 1/20 0.38
HSD17B10 Q99714 1/20 0.37
IDO1 P14902 2/20 0.36
SRC P12931 1/20 0.36
XDH P47989 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
VDR P11473 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGFR P43088 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33

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
SCHEMBL27691729 0.85 ERN1 (0.48) ERN1TDP1PTPN1HSD17B10IDO1
SCHEMBL15652935 0.84 TDP1 (0.55) ERN1TDP1PTPN1HSD17B10IDO1
SCHEMBL15653786 0.82 ERN1 (0.53) ERN1TDP1PTPN1HSD17B10IDO1
SCHEMBL17429171 0.82 ERN1 (0.53) ERN1TDP1PTPN1HSD17B10IDO1
SCHEMBL29952376 0.80 ERN1 (0.52) ERN1TDP1PTPN1HSD17B10IDO1
SCHEMBL10924787 0.80 IDO1 (0.55) ERN1TDP1PTPN1HSD17B10IDO1
SCHEMBL15653726 0.80 ERN1 (0.52) ERN1TDP1PTPN1HSD17B10IDO1
SCHEMBL19204225 0.77 ERN1 (0.53) ERN1TDP1PTPN1HSD17B10IDO1
SCHEMBL17428997 0.77 ERN1 (0.48) ERN1TDP1PTPN1HSD17B10IDO1
SCHEMBL4503640 0.76 SRC (0.40) ERN1PTPN1IDO1SRCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2725005-B1 METHOD FOR PRODUCING 2-(ARYLOXYMETHYL)BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-08-02 EP disclosed
US-9000225-B2 Method for producing 2-(aryloxymethyl) benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-07 US disclosed
US-20140213825-A1 METHOD FOR PRODUCING 2-(ARYLOXYMETHYL) BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-31 US disclosed
EP-2725005-A1 METHOD FOR PRODUCING 2-(ARYLOXYMETHYL)BENZALDEHYDE COMPOUND Sumitomo Chemical Company Limited (JP) 2014-04-30 EP disclosed
US-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US disclosed
EP-1807403-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-07-18 EP disclosed
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHEDI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IRMB) (IT) 2006-05-11 US disclosed
WO-2006046030-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-05-04 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-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 ERN1 1733/4885TDP1 3945/4885PTPN1 1153/4885
US-20140213825-A1 METHOD FOR PRODUCING 2-(ARYLOXYMETHYL) BENZALDEHYDE COMPOUND AOX1, TYR, PAH ERN1 2893/4885TDP1 3949/4885PTPN1 3809/4885

“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.