SCHEMBL4418356

SCHEMBL4418356

CCCC(C)(C)C(=O)Nc1cccc(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
HPGD P15428 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HSD17B10 Q99714 1/20 0.54
RXFP1 Q9HBX9 1/20 0.50
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
GAA P10253 1/20 0.49
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL11867606 0.91 MEN1 (0.64) KMT2AMEN1HPGDTDP1HSD17B10
SCHEMBL19669104 0.88 KMT2A (0.60) KMT2AMEN1HPGDHSD17B10RXFP1
SCHEMBL14134842 0.86 MEN1 (0.59) KMT2AMEN1TDP1HSD17B10ALDH1A1
SCHEMBL11869308 0.86 MEN1 (0.59) KMT2AMEN1TDP1ALDH1A1RAB9A
SCHEMBL11273500 0.85 MEN1 (0.57) KMT2AMEN1TDP1ALDH1A1CYP1A2
SCHEMBL11871167 0.84 MEN1 (0.60) KMT2AMEN1TDP1HSD17B10ALDH1A1
SCHEMBL11871553 0.82 MEN1 (0.55) KMT2AMEN1HPGDTDP1HSD17B10
SCHEMBL11864717 0.82 MEN1 (0.55) KMT2AMEN1TDP1GAAALDH1A1
SCHEMBL11875006 0.82 MEN1 (0.55) KMT2AMEN1TDP1GAAALDH1A1
SCHEMBL7440675 0.82 MEN1 (0.71) KMT2AMEN1HPGDTDP1HSD17B10

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
EP-1399413-B1 FRAGRANCE COMPOUNDS QUEST INT (NL) 2009-09-16 EP disclosed
US-7169748-B2 Fragrance compounds QUEST INTERNATIONAL SERVICES B.V. (NL) 2007-01-30 US disclosed
US-20040157765-A1 Fragrance compounds QUEST INTERNATIONAL SERVICES B.V. (NL) 2004-08-12 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-20040157765-A1 Fragrance compounds HRH4, HRH1, PNMT KMT2A 824/4885MEN1 598/4885HPGD 2620/4885

“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.