SCHEMBL855301

SCHEMBL855301

CCOC(=O)Cc1ccc(C)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 2/20 0.44
NLRP3 Q96P20 1/20 0.43
PKM P14618 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL1680849 0.87 ALDH1A1 (0.45) ALDH1A1HTTKDM4EKMT2APKM
SCHEMBL30336943 0.87 ALDH1A1 (0.45) ALDH1A1HTTKDM4EKMT2APKM
SCHEMBL31441299 0.87 KMT2A (0.57) ALDH1A1HTTKDM4EKMT2AGAA
SCHEMBL707398 0.87 KMT2A (0.57) ALDH1A1HTTKDM4EKMT2AGAA
SCHEMBL31074048 0.87 FFAR1 (0.44) ALDH1A1NLRP3PKMSMN1; SMN2HSD17B10
SCHEMBL9610136 0.85 ALDH1A1 (0.42) ALDH1A1HTTKDM4EKMT2AHSD17B10
SCHEMBL1354053 0.84 MAOA (0.44) ALDH1A1HTTKDM4EKMT2APKM
SCHEMBL8361251 0.84 CYP4F2 (0.53) ALDH1A1KDM4EKMT2ANLRP3GAA
SCHEMBL3801839 0.84 HTT (0.46) ALDH1A1HTTKDM4EKMT2ASMN1; SMN2
SCHEMBL29668340 0.83 SMN1; SMN2 (0.51) ALDH1A1KMT2ANLRP3PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372807-B2 Methods of modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-8372807-B2 Methods of modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-8372807-B2 Methods of modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20120135929-A1 Methods Of Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-31 US disclosed
US-20120135929-A1 Methods Of Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-31 US disclosed
US-20120135929-A1 Methods Of Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-31 US disclosed
EP-2432468-A2 METHODS OF MODULATING URIC ACID LEVELS Ardea Biosciences, Inc. (US) 2012-03-28 EP disclosed
WO-2010135536-A2 METHODS OF MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 WO disclosed
WO-2010135536-A2 METHODS OF MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 WO disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 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 (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-20120135929-A1 Methods Of Modulating Uric Acid Levels XDH, PON1, OAT ALDH1A1 167/4885HTT 1182/4885KDM4E 3253/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E ALDH1A1 411/4885HTT 2993/4885KDM4E 2038/4885

“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.