SCHEMBL5401853

SCHEMBL5401853

CC1C(C)C(C)(C)C2CCCCC2C1(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL18430746 0.83
SCHEMBL6433750 0.81 ALDH1A1 (0.32) ALDH1A1L3MBTL1MAPTKDM4EHSD17B10
SCHEMBL24821351 0.76
SCHEMBL19736672 0.73 THRB (0.35) ALDH1A1L3MBTL1
SCHEMBL7166742 0.70 CA1 (0.33) HSD17B10
SCHEMBL20344303 0.69 ALDH1A1 (0.32) ALDH1A1L3MBTL1KDM4EHSD17B10
SCHEMBL11506383 0.67
SCHEMBL3361943 0.66 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9694865 0.66 ALDH1A1 (0.32) ALDH1A1
Isopropyl Alcohol SCHEMBL5802801 0.65 L3MBTL1 (0.33) ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100582099-C musk odorant compounds FIRMENICH & CIE 2010-01-20 CN disclosed
US-7253141-B2 Musk odorant compounds FIRMENICH SA (CH) 2007-08-07 US disclosed
US-7253141-B2 Musk odorant compounds FIRMENICH SA (CH) 2007-08-07 US disclosed
EP-1689728-B1 MUSK ODORANT COMPOUNDS FIRMENICH & CIE (CH) 2007-04-11 EP disclosed
EP-1689728-B1 MUSK ODORANT COMPOUNDS FIRMENICH & CIE (CH) 2007-04-11 EP disclosed
CN-1886390-A Musk odorant compound FIRMENICH & CIE (CH) 2006-12-27 CN disclosed
US-20060211598-A1 Musk odorant compounds FIRMENICH SA (CH) 2006-09-21 US disclosed
US-20060211598-A1 Musk odorant compounds FIRMENICH SA (CH) 2006-09-21 US disclosed
EP-1689728-A1 MUSK ODORANT COMPOUNDS FIRMENICH SA (CH) 2006-08-16 EP disclosed
EP-1689728-A1 MUSK ODORANT COMPOUNDS FIRMENICH SA (CH) 2006-08-16 EP disclosed
WO-2005054220-A1 MUSK ODORANT COMPOUNDS FIRMENICH SA (CH) 2005-06-16 WO disclosed
WO-2005054220-A1 MUSK ODORANT COMPOUNDS FIRMENICH SA (CH) 2005-06-16 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-20060211598-A1 Musk odorant compounds KHK, KCNK5, KLK5 ALDH1A1 2024/4885L3MBTL1 2631/4885MAPT 2634/4885

“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.