SCHEMBL5570408

SCHEMBL5570408

CCC(OC1CCCCO1)(C(=O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A3 Q01959 2/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
MGLL Q99685 2/20 0.36
ALDH1A1 P00352 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
SCHEMBL5570411 1.00 MEN1 (0.40) MEN1KMT2ASLC6A3KEAP1NFE2L2
SCHEMBL5689417 0.80 SLC6A3 (0.42) MEN1KMT2ASLC6A3KEAP1NFE2L2
SCHEMBL5686699 0.74 SLC6A3 (0.45) MEN1KMT2ASLC6A3KEAP1NFE2L2
SCHEMBL11387493 0.73 MEN1 (0.46) MEN1KMT2ASLC6A3KEAP1NFE2L2
SCHEMBL2729130 0.73 CES1 (0.46) KMT2ACHRM2CHRM1CHRM3ALDH1A1
SCHEMBL8197545 0.73 SLC6A3 (0.37) MEN1KMT2ASLC6A3KEAP1NFE2L2
SCHEMBL8374252 0.73 MEN1 (0.40) MEN1KMT2ASLC6A3
SCHEMBL29005522 0.73 MEN1 (0.40) MEN1KMT2ASLC6A3
SCHEMBL8633571 0.72 MEN1 (0.41) MEN1KMT2ASLC6A3MGLLALDH1A1
SCHEMBL9315916 0.72 SLC6A3 (0.39) SLC6A3MGLLALDH1A1

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
US-7261836-B2 Chiral dopant with phenylethanediol functionality KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2007-08-28 US disclosed
US-20060022167-A1 Chiral dopant with phenylethanediol functionality KONINKLIJKE PHILIPS ELECTRONICS N.V. 2006-02-02 US disclosed
EP-1519910-A1 CHIRAL DOPANT WITH PHENYLETHANEDIOL FUNCTIONALITY Koninklijke Philips Electronics N.V. (NL) 2005-04-06 EP disclosed
WO-2004002935-A1 CHIRAL DOPANT WITH PHENYLETHANEDIOL FUNCTIONALITY KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2004-01-08 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 (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-20060022167-A1 Chiral dopant with phenylethanediol functionality CRY2, CRY1, DDT MEN1 1406/4885KMT2A 1814/4885SLC6A3 930/4885

“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.