SCHEMBL6578030

SCHEMBL6578030

CCOC(=O)CCOc1ccc(OC)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 3/20 0.50
TP53 P04637 1/20 0.50
S1PR4 O95977 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
HPGD P15428 4/20 0.46
TSHR P16473 3/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTPN1 P18031 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL4773036 0.86 ALDH1A1 (0.58) MEN1KMT2AALDH1A1MRGPRX4RAB9A
SCHEMBL28252189 0.85 MAPT (0.63) MAPTMEN1KMT2AALDH1A1S1PR4
SCHEMBL6580327 0.83 MRGPRX4 (0.55) MAPTMEN1KMT2AALDH1A1S1PR4
SCHEMBL21992555 0.79 MAPT (0.60) MAPTALDH1A1TP53GAAHPGD
SCHEMBL21601619 0.79 ALDH1A1 (0.54) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL19243079 0.79 MEN1 (0.52) MAPTMEN1KMT2AALDH1A1MAPK1
Acetic Acid SCHEMBL27488499 0.79 MRGPRX4 (0.56) MAPTMEN1KMT2AS1PR4MRGPRX4
SCHEMBL9603260 0.78 ALDH1A1 (0.55) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL1090743 0.78 MAPT (0.74) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL7494106 0.78 ALDH1A1 (0.53) MAPTMEN1KMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1012140-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2004-09-29 EP disclosed
US-6576657-B2 Nitrogen containing heterocyclic compounds useful as anticoagulants ASTRAZENECA AB (SE) 2003-06-10 US disclosed
US-20020022612-A1 New amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2002-02-21 US disclosed
US-6265397-B1 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2001-07-24 US disclosed
EP-1012140-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2000-06-28 EP disclosed
WO-1998057932-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1998-12-23 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-20020022612-A1 New amidino derivatives and their use as thrombin inhibitors SERPINC1, SERPINE1, SERPINB1 MAPT 4837/4885MEN1 1630/4885KMT2A 4730/4885

“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.