SCHEMBL6544216

SCHEMBL6544216

Cc1[c]c(C)c(C)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
CYP3A4 P08684 1/20 0.42
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32

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
SCHEMBL20590549 0.79 ACHE (0.43) ACHECYP3A4SELLSELPSELE
SCHEMBL10730717 0.79 SELL (0.43) ACHECYP3A4SELLSELPSELE
SCHEMBL395719 0.72
SCHEMBL28084558 0.72 TDP1 (0.48) ACHECYP3A4
SCHEMBL27887395 0.70
SCHEMBL3340131 0.68
SCHEMBL15351577 0.68
SCHEMBL15352080 0.68 HDAC1 (0.31)
SCHEMBL5847851 0.68 CA1 (0.43) ACHECYP3A4SELLSELPSELE
SCHEMBL28040377 0.68

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513543-B1 Derivatives of amidinophenylalanine, procedure for their preparation, their utilisation and anticoagulant compositions comprising them. BEHRINGWERKE AG (DE) 1995-10-25 EP claimed
US-5457114-A Antithrombin; antithrombotic, enzyme resistance, tolerability BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1995-10-10 US claimed
EP-0513543-A1 Derivatives of amidinophenylalanine, procedure for their preparation, their utilisation and anticoagulant compositions comprising them. BEHRINGWERKE Aktiengesellschaft (DE) 1992-11-19 EP claimed
WO-2020009016-A1 METHOD FOR PRODUCING ORGANIC COMPOUND ユニチカ株式会社 2020-01-09 WO disclosed
CN-108017791-A Polyphenylene ether powder and manufacture method 旭化成株式会社 2018-05-11 CN disclosed
CN-107177043-A Polyphenylene ether powder and manufacture method with slight void 旭化成株式会社 2017-09-19 CN disclosed
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
CN-103421181-A Production method for polyphenylene ether powder ASAHI KASEI CHEMICALS CORP 2013-12-04 CN disclosed
CN-103421178-A Production method for polyphenylene ether powder ASAHI KASEI CHEMICALS CORP 2013-12-04 CN disclosed
CN-103421182-A Production method for polyphenylene ether powder ASAHI KASEI CHEMICALS CORP 2013-12-04 CN disclosed
EP-0658585-B1 Aminophenylalanine derivatives, process for their production, their use and agents containing them as anti-coagulants STUEBER WERNER (DE) 2000-07-19 EP disclosed
CN-1039125-C Amidinophenylalanine derivatives and process for preparing same and use REHRINGWERKE AG (DE) 1998-07-15 CN disclosed
US-5627283-A ANTITHROMBIN COMPOUNDS BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed
US-5571844-A Amidinophenylalanine derivatives, a process for their preparation, their use and compositions containing these as anticoagulants BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1996-11-05 US disclosed
EP-0513543-B1 Derivatives of amidinophenylalanine, procedure for their preparation, their utilisation and anticoagulant compositions comprising them. BEHRINGWERKE AG (DE) 1995-10-25 EP disclosed
US-5457114-A Antithrombin; antithrombotic, enzyme resistance, tolerability BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1995-10-10 US disclosed
EP-0658585-A2 Aminophenylalanine derivatives, process for their production, their use and agents containing them as anti-coagulants BEHRINGWERKE Aktiengesellschaft (DE) 1995-06-21 EP disclosed
CN-1067249-A Amidinophenylalaninederivatives derivatives and Preparation Method And The Use BEHRINGWERKE AG (DE) 1992-12-23 CN disclosed
EP-0513543-A1 Derivatives of amidinophenylalanine, procedure for their preparation, their utilisation and anticoagulant compositions comprising them. BEHRINGWERKE Aktiengesellschaft (DE) 1992-11-19 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 ACHE 4635/4885CYP3A4 134/4885SELL 3824/4885

“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.