SCHEMBL1069512

SCHEMBL1069512

CCOC(=O)[C@H]1OC1(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
OPRM1 P35372 5/20 0.42
GAA P10253 1/20 0.42
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
SLC22A1 O15245 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
KCNH2 Q12809 1/20 0.41
GLA P06280 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
MITF O75030 2/20 0.40

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
SCHEMBL14968000 1.00 TSHR (0.50) TSHRMEN1KMT2ACYP1A2CYP2D6
SCHEMBL16109793 0.92 TSHR (0.43) TSHRMEN1KMT2ACYP1A2CYP2D6
SCHEMBL16109525 0.90 TSHR (0.46) TSHRMEN1KMT2ACYP1A2CYP2D6
SCHEMBL14967217 0.88 LMNA (0.46) TSHRALDH1A1GAA
SCHEMBL14966866 0.87 LMNA (0.40) TSHRMEN1KMT2ACYP1A2CYP2C19
SCHEMBL14967420 0.85 TSHR (0.46) TSHRMEN1KMT2ACYP2C19L3MBTL1
SCHEMBL16109704 0.84 LMNA (0.41) TSHRMEN1KMT2ACYP1A2CYP2D6
SCHEMBL16109148 0.84 PPARG (0.50) TSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL14967940 0.83 ALDH1A1 (0.47) TSHRMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL14968305 0.83 PPARG (0.52) TSHRMEN1KMT2ACYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040698-B2 Method for preparing optically pure (+)-ambrisentan and (+)-darusentan INSTITUTE OF CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2015-05-26 US disclosed
US-9040698-B2 Method for preparing optically pure (+)-ambrisentan and (+)-darusentan INSTITUTE OF CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2015-05-26 US disclosed
US-9040698-B2 Method for preparing optically pure (+)-ambrisentan and (+)-darusentan INSTITUTE OF CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2015-05-26 US disclosed
US-20140249309-A1 Method for Preparing Optically Pure (+)-Ambrisentan and (+)-Darusentan INSTITUTE OF CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2014-09-04 US disclosed
US-20140249309-A1 Method for Preparing Optically Pure (+)-Ambrisentan and (+)-Darusentan INSTITUTE OF CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2014-09-04 US disclosed
US-20140249309-A1 Method for Preparing Optically Pure (+)-Ambrisentan and (+)-Darusentan INSTITUTE OF CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2014-09-04 US disclosed
US-20130317044-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE ABBOTT GMBH & CO. KG (DE) 2013-11-28 US disclosed
US-8349843-B2 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG (DE) 2013-01-08 US disclosed
US-20120088911-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE ABBOTT GMBH & CO. KG (DE) 2012-04-12 US disclosed
US-20110178294-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE ABBOTT GMBH & CO. KG (DE) 2011-07-21 US disclosed
US-20060160808-A1 New carboxylic acid derivatives, their preparation and their use ROYALTY PHARMA COLLECTION TRUST 2006-07-20 US disclosed
US-20040092742-A1 Novel carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG 2004-05-13 US disclosed
US-6600043-B2 Pyramidine or triazine derivatives which specifically inhibit the binding of endothelin to the receptor BASF AKTIENGESELLSCHAFT (DE) 2003-07-29 US disclosed
US-20020052495-A1 Novel carboxylic acid derivatives, their preparation and use ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-05-02 US disclosed
US-6197958-B1 CYCLOPENTAPYRIMIDINE DERIVATIVES; ENDOTHELIN RECEPTOR INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
US-6030975-A ANTAGONIST OF ENDOTHELINS, I.E. INHIBITION OF BINDING WITH RECEPTOR; ANTITUMOR AND -CARCINOGENIC AGENTS; SIDE EFFECT REDUCTION BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0969841-A1 USE OF CARBOXYLIC ACID DERIVATIVES FOR TREATING CANCER BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
US-5969134-A CARDIOVASCULAR DISORDERS, VASOCONSTRICTION, HYPOTENSIVE AGENTS AND RELEASE OF ENDOTHELINS BASF AKTIENGESELLSCHAFT (DE) 1999-10-19 US disclosed
US-5932730-A Carboxylic acid derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1999-08-03 US disclosed
WO-1998041206-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE IN TREATING CANCER BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 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 (7 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-20120088911-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE HCAR1, HCAR2, HCAR3 TSHR 922/4885MEN1 3517/4885KMT2A 2424/4885
US-20020052495-A1 Novel carboxylic acid derivatives, their preparation and use HCAR1, HCAR2, SUCNR1 TSHR 1474/4885MEN1 3402/4885KMT2A 2416/4885
US-20130317044-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE HCAR1, HCAR2, HCAR3 TSHR 938/4885MEN1 3333/4885KMT2A 2152/4885
US-20140249309-A1 Method for Preparing Optically Pure (+)-Ambrisentan and (+)-Darusentan AKR1D1, AKR1C2, AKR1C1 TSHR 1181/4885MEN1 2018/4885KMT2A 3912/4885
US-20040092742-A1 Novel carboxylic acid derivatives, their preparation and use HCAR1, HCAR2, SUCNR1 TSHR 1474/4885MEN1 3402/4885KMT2A 2416/4885
US-20110178294-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE HCAR1, HCAR2, HCAR3 TSHR 938/4885MEN1 3333/4885KMT2A 2152/4885
US-20060160808-A1 New carboxylic acid derivatives, their preparation and their use CYP2C19, CYP2C9, ABCG2 TSHR 3288/4885MEN1 2504/4885KMT2A 3115/4885

“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.