SCHEMBL3786509

SCHEMBL3786509

Clc1cc(C2CCCCC2)cc(C2CCCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.39
KMO O15229 1/20 0.38
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
SERPINE1 P05121 1/20 0.36
RAPGEF3 O95398 2/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BACE1 P56817 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CEL P19835 1/20 0.35

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
SCHEMBL7418278 0.97 TSHR (0.40) CYP11B2KMOCYP2D6SLC6A2SLC6A4
SCHEMBL3787031 0.97 SLC6A2 (0.38) CYP11B2KMOCYP2D6SLC6A2SLC6A4
SCHEMBL3781520 0.92 TSHR (0.37) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL15562086 0.90 TSHR (0.42) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL23421096 0.87 MAPT (0.37) CYP11B2KMOCYP2D6SLC6A2SLC6A4
SCHEMBL28797322 0.87 ACMSD (0.39) KMOACMSDSERPINE1RAPGEF3KMT2A
SCHEMBL3789300 0.87 TP53 (0.46) CYP11B2KMOCYP2D6SLC6A2SLC6A4
SCHEMBL20358034 0.87 NR1I2 (0.39) CYP11B2KMOSLC6A2SLC6A4SLC6A3
SCHEMBL1662047 0.86 TSHR (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL778084 0.86 CYP11B2 (0.46) CYP11B2KMOACMSDKMT2AHSP90AA1

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
CN-113121393-B Aromatic amide compound and application thereof in medicines 广东东阳光药业股份有限公司 2024-08-09 CN disclosed
CN-113121393-A Aromatic amide compound and application thereof in medicines 广东东阳光药业有限公司 2021-07-16 CN disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CYP11B2 79/4885KMO 19/4885CYP2D6 330/4885

“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.