SCHEMBL6097015

SCHEMBL6097015

CC1(c2[nH]c3ccccc3c2C2=C(Cl)C(=O)C=C(Cl)C2=O)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
CRHBP P24387 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
OPRM1 P35372 2/20 0.33
CCR6 P51684 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALK Q9UM73 1/20 0.31
PTPRC P08575 1/20 0.31
CHEK1 O14757 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL6096197 0.94 OPRM1 (0.35) MAPTTSHRLMNAMEN1CRHBP
SCHEMBL6095918 0.79 TSHR (0.38) MAPTTSHRLMNAMEN1CRHBP
SCHEMBL29690580 0.77 CCR6 (0.51) MAPTLMNAMEN1KMT2ACCR6
SCHEMBL6094022 0.77 CCR6 (0.51) MAPTLMNAMEN1KMT2ACCR6
SCHEMBL6097108 0.74 PTPRC (0.54) MAPTMAPK1PTPRCALDH1A1PTGS2
SCHEMBL6097547 0.74 CCR6 (0.39) LMNAMEN1KMT2ACCR6HKDC1
SCHEMBL6096055 0.74 PTPRC (0.37) MAPTLMNAMEN1KMT2ACCR6
SCHEMBL6096773 0.73 AURKA (0.34) MAPTTSHRLMNAMEN1MAPK1
SCHEMBL6096623 0.72 ALDH1A1 (0.39) MAPTTSHRLMNAMEN1CRHBP
SCHEMBL29690625 0.67 CCR6 (0.51) MAPTLMNAMEN1KMT2ACCR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7057052-B2 Heterocyclic quinones as pharmaceutical agents DUKE UNIVERSITY (US) 2006-06-06 US disclosed
WO-2004050014-A2 SETEROCYCLIC QUINONES AS PHARMACEUTICAL AGENTS DUKE UNIVERSITY (US) 2004-06-17 WO disclosed
US-20040063774-A1 Heterocyclic quinones as pharmaceutical agents DUKE UNIVERSITY 2004-04-01 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 (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-20040063774-A1 Heterocyclic quinones as pharmaceutical agents NQO1, RECQL, SDHA MAPT 116/4885TSHR 4718/4885LMNA 1779/4885

“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.