SCHEMBL4400613

SCHEMBL4400613

Oc1ccc(-c2cc(-c3ccccc3)c[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.58
BCL2L1 Q07817 1/20 0.58
ESR1 P03372 6/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ESR2 Q92731 5/20 0.46
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
CDC7 O00311 1/20 0.45
NTSR1 P30989 1/20 0.43
ABL1 P00519 1/20 0.42
ABCB1 P08183 1/20 0.42
BCR P11274 1/20 0.42
MAPT P10636 2/20 0.42
AURKA O14965 1/20 0.42
THRB P10828 1/20 0.42
CASP1 P29466 1/20 0.42
TTK P33981 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42

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
SCHEMBL20392618 1.00 MMP3 (0.58) MMP3BCL2L1ESR1MEN1KMT2A
SCHEMBL333740 0.88 MAPT (0.50) MAPTAURKATHRBCASP1TTK
SCHEMBL15425092 0.81 ALOX5 (0.62) MEN1KMT2AESR2MAPTLMNA
SCHEMBL24633981 0.81 ALDH1A1 (0.58) MEN1KMT2AMAPTAURKATHRB
SCHEMBL17279792 0.81 MAPT (0.42) MEN1KMT2ANTSR1MAPTAURKA
SCHEMBL25364857 0.81 MAPT (0.42) MEN1KMT2ANTSR1MAPTAURKA
SCHEMBL17279777 0.79 AURKA (0.47) ESR1MEN1KMT2AMAPTAURKA
SCHEMBL3130788 0.79 MMP3 (0.42) MMP3BCL2L1ESR1ESR2HSD17B1
SCHEMBL17280182 0.78 AURKA (0.46) ESR1MEN1KMT2AMAPTAURKA
SCHEMBL15223754 0.78 HSD17B1 (0.65) ESR1MEN1KMT2AESR2HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524060-B2 Therapeutic contact lens for pseudo-aphakic eyes and/or eyes with retinal neuro-degeneration UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2009-04-28 US claimed
EP-3568402-B1 LANTHANIDE COMPLEXES COMPRISING DERIVATIVES OF TRIETHYLENETETRAMINE-N,N,N',N'',N''',N'''-HEXAACETIC ACID UNIV ORLEANS (FR) 2022-11-02 EP disclosed
US-10669288-B2 Lanthanide complexes based on triethylenetetramine-N,N,N′,N″,N′″,N′″-hexaacetic acid derivatives UNIVERSITE D'ORLEANS (FR) 2020-06-02 US disclosed
US-10669288-B2 Lanthanide complexes based on triethylenetetramine-N,N,N′,N″,N′″,N′″-hexaacetic acid derivatives UNIVERSITE D'ORLEANS (FR) 2020-06-02 US disclosed
US-20190352511-A1 LANTHANIDE COMPLEXES COMPRISING DENDRIMERS UNIVERSITE D'ORLEANS (FR) 2019-11-21 US disclosed
US-20190352511-A1 LANTHANIDE COMPLEXES COMPRISING DENDRIMERS UNIVERSITE D'ORLEANS (FR) 2019-11-21 US disclosed
EP-3568401-A1 LANTHANIDE COMPLEXES COMPRISING DENDRIMERS Universite D'Orleans (FR) 2019-11-20 EP disclosed
EP-3568402-A1 LANTHANIDE COMPLEXES COMPRISING DERIVATIVES OF TRIETHYLENETETRAMINE-N,N,N',N'',N''',N'''-HEXAACETIC ACID Universite D'Orleans (FR) 2019-11-20 EP disclosed
US-20190330242-A1 LANTHANIDE COMPLEXES BASED ON TRIETHYLENETETRAMINE-N,N,N',N'',N''',N'''-HEXAACETIC ACID DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-10-31 US disclosed
US-20190330242-A1 LANTHANIDE COMPLEXES BASED ON TRIETHYLENETETRAMINE-N,N,N',N'',N''',N'''-HEXAACETIC ACID DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-10-31 US disclosed
WO-2018130542-A1 LANTHANIDE COMPLEXES COMPRISING DENDRIMERS UNIVERSITE D'ORLEANS (FR) 2018-07-19 WO disclosed
WO-2018130545-A1 LANTHANIDE COMPLEXES COMPRISING DERIVATIVES OF TRIETHYLENETETRAMINE-N,N,N',N'',N''',N'''-HEXAACETIC ACID UNIVERSITE D'ORLEANS (FR) 2018-07-19 WO disclosed
WO-2006058448-A1 DIODE-LASER COMPATIBLE AZA-DIPYRROMETHENE DYES AND METHODS FOR THEIR PREPARATION Eidgenössische Technische Hochschule Zürich (CH) 2006-06-08 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 (3 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-20190352511-A1 LANTHANIDE COMPLEXES COMPRISING DENDRIMERS CLTA, CLTB, CA12 MMP3 3440/4885BCL2L1 1820/4885ESR1 1814/4885
US-10669288-B2 Lanthanide complexes based on triethylenetetramine-N,N,N′,N″,N′″,N′″-hexaacetic acid derivatives NCL, NCLN, B3GNT2 MMP3 4470/4885BCL2L1 4104/4885ESR1 2752/4885
US-20190330242-A1 LANTHANIDE COMPLEXES BASED ON TRIETHYLENETETRAMINE-N,N,N',N'',N''',N'''-HEXAACETIC ACID DERIVATIVES NCL, NCLN, B3GNT2 MMP3 4583/4885BCL2L1 3972/4885ESR1 2942/4885

“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.