SCHEMBL6437044

SCHEMBL6437044

COCC(COC)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.44
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
KCNA3 P22001 1/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SLC6A4 P31645 1/20 0.39
MAOA P21397 2/20 0.38
PTGS1 P23219 1/20 0.38
LTA4H P09960 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HTR1B P28222 2/20 0.38
HTR1D P28221 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
MAOB P27338 1/20 0.37
NISCH Q9Y2I1 1/20 0.37

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
SCHEMBL27703461 0.90 LMNA (0.42) CA4LMNAALDH1A1RECQLKCNA3
SCHEMBL13941995 0.80 MTNR1A (0.49) CA4LMNAKCNA3MAPTMAOA
SCHEMBL13960149 0.79 LMNA (0.54) LMNAALDH1A1RECQLKCNA3KDM4E
SCHEMBL8419721 0.78 LDHA (0.42) LMNAALDH1A1MAPTKDM4ESLC6A4
SCHEMBL29208317 0.78 LMNA (0.48) CA4LMNAALDH1A1RECQLKCNA3
SCHEMBL9301477 0.78 CA4 (0.41) CA4LMNAALDH1A1RECQLKCNA3
SCHEMBL16012833 0.78 ACACB (0.33)
SCHEMBL19586897 0.78 SCN4A (0.42) CA4LMNAKCNA3MAPTKDM4E
SCHEMBL10359634 0.78 CA4 (0.41) CA4LMNAALDH1A1RECQLKCNA3
SCHEMBL19725376 0.77 LMNA (0.42) CA4LMNAKCNA3MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 US disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 US disclosed
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 US disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 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-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 CA4 667/4885LMNA 993/4885ALDH1A1 170/4885

“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.