SCHEMBL2901853

SCHEMBL2901853

CC(OC(C)(C)CO)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.35
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX1 P07099 3/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
MMP2 P08253 2/20 0.30
CA9 Q16790 2/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30

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
SCHEMBL13209034 0.80 IDO1 (0.32)
SCHEMBL1396689 0.80 IDO1 (0.32)
SCHEMBL31141331 0.80 IDO1 (0.32)
SCHEMBL28901121 0.79
SCHEMBL13907263 0.79
SCHEMBL6239918 0.78 CA1 (0.33) CA1CA2
SCHEMBL18356050 0.76 SHBG (0.37) SHBGTP53EPHX1CA12CA1
Propionic Acid SCHEMBL1044207 0.76
SCHEMBL5852406 0.75 ALDH1A1 (0.33) MAPTEPHX1CA12CA1CA2
SCHEMBL5852392 0.75 EPHX1 (0.33) EPHX1CA12CA1CA2MMP2

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-1492759-B1 NOVEL ALICYCLIC ESTERS HAVING A MUSKY SMELL SYMRISE GMBH & CO KG (DE) 2010-08-04 EP disclosed
US-7064102-B2 Alicyclic esters having a musky smell SYMRISE GMBH & CO, KG (DE) 2006-06-20 US disclosed
US-20050182273-A1 Novel alicyclic esters having a musky smell SYMRISE AG (DE) 2005-08-18 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-20050182273-A1 Novel alicyclic esters having a musky smell TAS2R16, TAS2R43, TAS2R45 SHBG 3069/4885TP53 2893/4885KDM4E 781/4885

“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.