SCHEMBL4422100

SCHEMBL4422100

CCN(C(=O)C(C)C)c1cccc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLQ O75417 6/20 0.53
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PAX8 Q06710 2/20 0.48
TP53 P04637 1/20 0.48
GPX4 P36969 1/20 0.48
MLYCD O95822 2/20 0.48
HTT P42858 2/20 0.47
JAK2 O60674 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
NR1H4 Q96RI1 1/20 0.45

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
SCHEMBL20264437 0.86 POLQ (0.49) POLQALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4164220 0.84 ALDH1A1 (0.46) POLQALDH1A1MAPTHPGDNPC1
SCHEMBL4152992 0.82 ALDH1A1 (0.50) POLQALDH1A1MAPTHPGDNPC1
SCHEMBL9547612 0.81 ALDH1A1 (0.57) POLQALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL18200116 0.81 POLQ (0.52) POLQALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL18765958 0.81 ALDH1A1 (0.66) ALDH1A1HPGDSMN1; SMN2TP53MLYCD
SCHEMBL30074142 0.80 POLQ (0.58) POLQALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL25751661 0.80 POLQ (0.51) POLQALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL3871929 0.80 POLQ (0.58) POLQALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL16010215 0.80 POLQ (0.47) POLQALDH1A1MAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399413-B1 FRAGRANCE COMPOUNDS QUEST INT (NL) 2009-09-16 EP claimed
US-7169748-B2 Fragrance compounds QUEST INTERNATIONAL SERVICES B.V. (NL) 2007-01-30 US claimed
US-20040157765-A1 Fragrance compounds QUEST INTERNATIONAL SERVICES B.V. (NL) 2004-08-12 US claimed
EP-1399413-A1 FRAGRANCE COMPOUNDS QUEST INTERNATIONAL B.V. (NL) 2004-03-24 EP claimed
WO-2003000648-A1 FRAGRANCE COMPOUNDS QUEST INTERNATIONAL B.V. (NL) 2003-01-03 WO claimed
EP-1399413-B1 FRAGRANCE COMPOUNDS QUEST INT (NL) 2009-09-16 EP disclosed
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-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
US-20040157765-A1 Fragrance compounds QUEST INTERNATIONAL SERVICES B.V. (NL) 2004-08-12 US disclosed
EP-1399413-A1 FRAGRANCE COMPOUNDS QUEST INTERNATIONAL B.V. (NL) 2004-03-24 EP disclosed
EP-1399413-A1 FRAGRANCE COMPOUNDS QUEST INTERNATIONAL B.V. (NL) 2004-03-24 EP disclosed
WO-2003000648-A1 FRAGRANCE COMPOUNDS QUEST INTERNATIONAL B.V. (NL) 2003-01-03 WO disclosed
WO-2003000648-A1 FRAGRANCE COMPOUNDS QUEST INTERNATIONAL B.V. (NL) 2003-01-03 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-20040157765-A1 Fragrance compounds HRH4, HRH1, PNMT POLQ 2542/4885ALDH1A1 2029/4885MAPT 3288/4885

“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.