SCHEMBL4247286

SCHEMBL4247286

Nc1c(Cl)cc(Cl)cc1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.47
TSHR P16473 2/20 0.43
CYP3A4 P08684 2/20 0.43
TDO2 P48775 1/20 0.41
MAP4K4 O95819 3/20 0.41
CYP1A2 P05177 1/20 0.40
KCNH2 Q12809 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
TNIK Q9UKE5 1/20 0.40
IKBKB O14920 2/20 0.39
CHUK O15111 2/20 0.39
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR2B P41595 1/20 0.37
PDE4D Q08499 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL10827629 0.83 TSHR (0.44) AHRTSHRCYP3A4TDO2MAP4K4
SCHEMBL4787759 0.82 AHR (0.42) AHRTSHRTDO2MAP4K4CYP1A2
SCHEMBL10818104 0.81 ALDH1A1 (0.48) AHRTSHRCYP3A4TP53HTR2B
SCHEMBL4448755 0.77 AHR (0.68) AHRTSHRCYP1A2TP53ALDH1A1
SCHEMBL4248838 0.75 AHR (0.65) AHRTSHRCYP3A4MAP4K4CYP1A2
SCHEMBL29407089 0.74 CYP3A4 (0.45) AHRCYP3A4TDO2MAP4K4CYP1A2
SCHEMBL5795293 0.74 ALDH1A1 (0.54) AHRTSHRCYP3A4KCNH2NPC1
SCHEMBL5952748 0.74 AHR (0.42) AHRTSHRCYP3A4TDO2MAP4K4
SCHEMBL9600526 0.74 DPP4 (0.47) AHRCYP3A4
SCHEMBL1577931 0.73 TSHR (0.54) AHRTSHRCYP3A4TDO2MAP4K4

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-9132411-B2 Strategies, linkers and coordination polymers for high-performance sorbents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-15 US disclosed
US-20130237411-A1 Novel Strategies, Linkers and Coordination Polymers for High-Performance Sorbents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-09-12 US disclosed
US-8383545-B2 Strategies, linkers and coordination polymers for high-performance sorbents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-02-26 US disclosed
US-20090062498-A1 NOVEL STRATEGIES, LINKERS AND COORDINATION POLYMERS FOR HIGH-PERFORMANCE SORBENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-03-05 US disclosed
WO-2009029838-A1 NOVEL STRATEGIES, LINKERS AND COORDINATION POLYMERS FOR HIGH-PERFORMANCE SORBENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-03-05 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-20130237411-A1 Novel Strategies, Linkers and Coordination Polymers for High-Performance Sorbents ILK, TIMCC, EPCAM AHR 3157/4885TSHR 4534/4885CYP3A4 3289/4885
US-20090062498-A1 NOVEL STRATEGIES, LINKERS AND COORDINATION POLYMERS FOR HIGH-PERFORMANCE SORBENTS ILK, TIMCC, EPCAM AHR 3157/4885TSHR 4534/4885CYP3A4 3289/4885

“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.