SCHEMBL4447170

SCHEMBL4447170

CCCOc1ccc(C(=O)C(OCCc2ccccc2)OCCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.60
RAB9A P51151 4/20 0.60
MAPT P10636 4/20 0.60
NPC1 O15118 3/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MITF O75030 1/20 0.49
NLRP1 Q9C000 1/20 0.49
FFAR1 O14842 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
JAK2 O60674 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL131571 0.78 LMNA (0.47) SMN1; SMN2RAB9AMAPTNPC1MEN1
SCHEMBL7638637 0.78 LMNA (0.55) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL15309789 0.78 MAOB (0.63) SMN1; SMN2RAB9AMAPTNFKB1NFKB2
SCHEMBL2808849 0.76 NPC1 (0.44) SMN1; SMN2RAB9AMAPTNPC1NFKB1
SCHEMBL9005002 0.76 LMNA (0.45) SMN1; SMN2RAB9AMAPTNPC1MEN1
SCHEMBL10945984 0.76 LMNA (0.49) SMN1; SMN2RAB9AMAPTNPC1LMNA
SCHEMBL9577653 0.75 TSHR (0.54) SMN1; SMN2LMNAALDH1A1TSHRTP53
SCHEMBL10942655 0.75 ELANE (0.50) SMN1; SMN2RAB9AMAPTLMNAL3MBTL1
SCHEMBL9256016 0.75 LMNA (0.45) SMN1; SMN2RAB9AMAPTNPC1NFKB1
SCHEMBL28567793 0.75 L3MBTL1 (0.62) SMN1; SMN2RAB9AMAPTNPC1NFKB1

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 SMN1; SMN2 3263/4885RAB9A 4358/4885MAPT 3633/4885

“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.