SCHEMBL4068617

SCHEMBL4068617

COC(OC(OC)C1CCCCC1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
EPHX1 P07099 2/20 0.33
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP2 P08253 2/20 0.31
CA9 Q16790 2/20 0.31
TP53 P04637 2/20 0.31
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3698331 0.89 SHBG (0.42) SHBGEPHX1CA12CA1CA2
SCHEMBL11844930 0.89 SHBG (0.42) SHBGEPHX1CA12CA1CA2
SCHEMBL15233756 0.89 SHBG (0.42) SHBGEPHX1CA12CA1CA2
SCHEMBL2270514 0.86 SHBG (0.38) SHBGEPHX1CA12CA1CA2
SCHEMBL15233755 0.80
SCHEMBL12065455 0.78 SHBG (0.34) SHBGEPHX1
SCHEMBL20492121 0.78 SHBG (0.42) SHBGEPHX1CA12CA1CA2
SCHEMBL8620129 0.78 SHBG (0.42) SHBGEPHX1CA12CA1CA2
SCHEMBL18914139 0.77 SHBG (0.32) SHBG
SCHEMBL10063341 0.77 SHBG (0.43) SHBGEPHX1TP53KDM4EGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090130020-A1 DIAGNOSTIC AGENTS FOR POSITRON EMISSION IMAGING USING F-18 RADIO-LABELED AMINO-ALCOHOLS BAYER SCHERING PHARMA AG (DE) 2009-05-21 US disclosed
EP-2036578-A1 Diagnostic agents for positron emission imaging using F-18 radio labeled amino-alcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 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-20090130020-A1 DIAGNOSTIC AGENTS FOR POSITRON EMISSION IMAGING USING F-18 RADIO-LABELED AMINO-ALCOHOLS ADH1A, ADH5, FABP1 SHBG 1480/4885EPHX1 3186/4885CA12 192/4885

“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.