SCHEMBL10020740

SCHEMBL10020740

[C-]#[N+]c1cc(Cl)c(Cl)cc1[N+]#[C-]

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.35
MAPK1 P28482 1/20 0.35
FLT1 P17948 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 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
SCHEMBL7120736 0.72 CYP3A4 (0.38) MAPK1HPGDTSHRHSD17B10CYP3A4
SCHEMBL11208097 0.72
SCHEMBL11216740 0.72
SCHEMBL29953089 0.70 ALDH1A1 (0.36)
SCHEMBL8147651 0.70
SCHEMBL10140877 0.69 GAA (0.46) MAPK1TSHRTP53CYP3A4
SCHEMBL29956924 0.69 TP53 (0.48) AHRMAPK1HPGDTSHRHSD17B10
SCHEMBL12552106 0.69 TP53 (0.48) AHRMAPK1HPGDTSHRHSD17B10
SCHEMBL29950528 0.69 TP53 (0.48) AHRMAPK1TSHRHSD17B10TP53
SCHEMBL13303852 0.69 AHR (0.35) AHR

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-9751985-B2 Triptycene-based dianhydrides, polyimides, methods of making each, and methods of use KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2017-09-05 US disclosed
US-20160102177-A1 TRIPTYCENE-BASED DIANHYDRIDES, POLYIMIDES, METHODS OF MAKING EACH, AND METHODS OF USE KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2016-04-14 US disclosed
US-20120081482-A1 Phthalocyanines and Their Use in Ink-Jet Printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2012-04-05 US disclosed
US-7842682-B2 Boronated metal-phthalocyanines, process for their preparation, pharmaceutical compositions comprising them and use thereof L. Molteni & C. Dei Fratelli Alitti (IT) 2010-11-30 US disclosed
US-20080009464-A9 Boronated metal-phthalocyanines, process for their preparation, pharmaceutical compositions comprising them and use thereof L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) 2008-01-10 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 (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-20120081482-A1 Phthalocyanines and Their Use in Ink-Jet Printing RB1, IDH1, CRY1 AHR 97/4885MAPK1 126/4885FLT1 630/4885
US-20160102177-A1 TRIPTYCENE-BASED DIANHYDRIDES, POLYIMIDES, METHODS OF MAKING EACH, AND METHODS OF USE BET1, TRPC1, NOD2 AHR 196/4885MAPK1 4760/4885FLT1 1355/4885
US-20080009464-A9 Boronated metal-phthalocyanines, process for their preparation, pharmaceutical compositions comprising them and use thereof PBRM1, BOD1L1, PCBP1 AHR 675/4885MAPK1 241/4885FLT1 1569/4885

“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.