SCHEMBL4445520

SCHEMBL4445520

CCN(CC)c1ccc(C(=O)C(OCC(C)Cc2ccc(C(C)(C)C)cc2)OCC(C)Cc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
NR1H4 Q96RI1 3/20 0.38
CNR2 P34972 3/20 0.38
ESRRG P62508 3/20 0.37
ACACB O00763 2/20 0.37
ESRRB O95718 1/20 0.37
TP53 P04637 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
REN P00797 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
SCHEMBL13754136 0.83 ESRRG (0.45) MEN1KMT2ATSHRALDH1A1ESRRG
SCHEMBL13754138 0.83 NR1H4 (0.52) MEN1KMT2AALDH1A1HSD17B10NR1H4
SCHEMBL13754143 0.82 NR1H4 (0.51) TSHRNR1H4ACACBTP53
SCHEMBL13754141 0.81 NR4A2 (0.44) MEN1KMT2ANR1H4ACACBLMNA
SCHEMBL13754169 0.81 NR1H4 (0.45) NR1H4LMNAMAPTSMN1; SMN2
SCHEMBL4456979 0.79 PPARG (0.47) TSHRNR1H4ACACBTP53
SCHEMBL13754142 0.78 ACACB (0.45) MEN1KMT2AALDH1A1HSD17B10NR1H4
SCHEMBL13754176 0.78 ESRRG (0.44) MEN1KMT2AALDH1A1NR1H4ESRRG
SCHEMBL13754166 0.78 MEN1 (0.47) MEN1KMT2ATSHRALDH1A1NR1H4
SCHEMBL13754134 0.78 PIN1 (0.40) MEN1KMT2AALDH1A1NR1H4ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US disclosed
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US disclosed
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US disclosed
US-20040171516-A1 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2004-09-02 US disclosed
EP-1390337-A1 PRECURSORS FOR KETONES AND ALDEHYDES Givaudan SA (CH) 2004-02-25 EP disclosed
WO-2002096850-A1 PRECURSORS FOR KETONES AND ALDEHYDES GIVAUDAN SA (CH) 2002-12-05 WO disclosed
EP-1262473-A1 Precursors for fragrant ketones and fragrant aldehydes Givaudan SA (CH) 2002-12-04 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-20040171516-A1 Precursors for ketones and aldehydes PDK3, PDK4, AKR1C4 MEN1 3742/4885KMT2A 2984/4885TSHR 4789/4885

“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.