SCHEMBL6477240

SCHEMBL6477240

O=C(O)C(OC1CCCCO1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
EPHX1 P07099 1/20 0.32
SLC6A3 Q01959 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL13245771 1.00 MEN1 (0.35) MEN1KMT2AEPHX1SLC6A3ALDH1A1
Cyclohexylamine SCHEMBL8636821 0.93 MEN1 (0.32) MEN1KMT2AEPHX1ALDH1A1
SCHEMBL8635126 0.83 KMT2A (0.45) MEN1KMT2ASLC6A3ALDH1A1
SCHEMBL7988739 0.81 MEN1 (0.31) MEN1KMT2A
SCHEMBL26999459 0.81 MEN1 (0.43) MEN1KMT2ASLC6A3ALDH1A1
SCHEMBL8637033 0.79 MEN1 (0.38) MEN1KMT2ASLC6A3ALDH1A1
SCHEMBL9044354 0.76 MEN1 (0.37) MEN1KMT2ASLC6A3ALDH1A1
SCHEMBL9213202 0.76 MEN1 (0.37) MEN1KMT2ASLC6A3ALDH1A1
SCHEMBL4300724 0.76 MEN1 (0.37) MEN1KMT2ASLC6A3ALDH1A1
SCHEMBL4300719 0.76 MEN1 (0.37) MEN1KMT2ASLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 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-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 MEN1 670/4885KMT2A 3199/4885EPHX1 993/4885

“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.