SCHEMBL6367101

SCHEMBL6367101

CCOC(=O)C(Cl)c1cccc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ACP3 P15309 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ PIN1 Q13526 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL13014965 0.84 LMNA (0.45) MMP8TDP1MAPTSMN1; SMN2CYP2C19
SCHEMBL1491141 0.83 MMP8 (0.53) ALDH1A1TP53MMP8TDP1KDM4E
SCHEMBL28190431 0.83 L3MBTL1 (0.53) ALDH1A1TDP1KDM4EL3MBTL1
SCHEMBL30062331 0.82 MMP8 (0.56) MMP8TDP1SMN1; SMN2PIN1CYP1A2
SCHEMBL287308 0.82 MMP8 (0.56) MMP8TDP1SMN1; SMN2PIN1CYP1A2
SCHEMBL4210524 0.81 PTGS1 (0.45) ALDH1A1TP53MMP8TDP1KDM4E
SCHEMBL9136495 0.81 MMP8 (0.44) ALDH1A1TP53MMP8TDP1KDM4E
SCHEMBL28547976 0.81 ACP3 (0.40) TDP1KDM4EMAPTACP3ACHE
SCHEMBL9138377 0.80 ALDH1A1 (0.43) ALDH1A1TP53MMP8TDP1KDM4E
SCHEMBL29116766 0.80 TDP1 (0.45) ALDH1A1TP53MMP8TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735426-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2014-05-27 — — US disclosed
US-8735426-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2014-05-27 — — US disclosed
US-20080275044-A1 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2008-11-06 — — US disclosed
WO-2008125295-A2 NOVEL VANILLOID RECEPTOR LIGANDS, AND THEIR USE FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 — — WO disclosed
US-6838478-B2 Amino acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2005-01-04 — — US disclosed
EP-0910573-B1 NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2003-01-29 — — EP disclosed
US-20020019371-A1 New amino acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2002-02-14 — — US disclosed
US-6255301-B1 CARDIOVASCULAR DISORDERS; ANTICOAGULANT; PROTEASE INHIBITORS ASTRAZENECA AB (SE) 2001-07-03 — — US disclosed
EP-0910573-A1 NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS Astra Aktiebolag (SE) 1999-04-28 — — EP disclosed
WO-1997046577-A1 NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1997-12-11 — — 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 (2 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-20080275044-A1 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions TRPV1, TRPV2, TRPV3 ALDH1A1 1531/4885TP53 4387/4885MMP8 1132/4885
US-20020019371-A1 New amino acid derivatives and their use as thrombin inhibitors F2, SERPINC1, FGB ALDH1A1 4222/4885TP53 3412/4885MMP8 179/4885

“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.

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