SCHEMBL1291135

SCHEMBL1291135

COc1cc(C(=O)O)c(C)c(OC)n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
LMNA P02545 1/20 0.46
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
PRKAG1 P54619 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MYC P01106 1/20 0.38
GPR35 Q9HC97 1/20 0.38

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
SCHEMBL19330148 0.84 TDP1 (0.61) POLBTDP1LMNAKDM4EALDH1A1
SCHEMBL19330176 0.82 TDP1 (0.59) POLBTDP1LMNAKDM4EALDH1A1
SCHEMBL30701048 0.82 TDP1 (0.59) POLBTDP1LMNAKDM4EALDH1A1
SCHEMBL11069140 0.81 POLB (0.45) POLBTDP1KDM4EALDH1A1PRKAG1
SCHEMBL10426645 0.81 POLB (0.45) POLBTDP1LMNAKDM4EALDH1A1
SCHEMBL16986595 0.77 POLB (0.41) POLBTDP1LMNAKDM4EALDH1A1
SCHEMBL198490 0.74 TDP1 (1.00) POLBTDP1LMNAKDM4EALDH1A1
SCHEMBL1905326 0.74 TDP1 (0.53) POLBTDP1LMNAKDM4EALDH1A1
SCHEMBL30539297 0.74 TDP1 (0.53) POLBTDP1LMNAKDM4EALDH1A1
SCHEMBL29859234 0.74 TDP1 (1.00) POLBTDP1LMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103140486-B Co-crystals and salts of CCR 3-inhibitors 贝林格尔.英格海姆国际有限公司 2016-08-03 CN disclosed
US-9233950-B2 Co-crystals and salts of CCR3-inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-12 US disclosed
US-20150105371-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-16 US disclosed
EP-2625174-B1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-21 EP disclosed
US-8742115-B2 Co-crystals and salts of CCR3-inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-03 US disclosed
US-20140135307-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-15 US disclosed
EP-2625174-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-08-14 EP disclosed
US-20120264729-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-18 US disclosed
WO-2012045803-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 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 (3 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-20120264729-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS CCR3, CCR1, CCR4 POLB 4432/4885TDP1 3572/4885LMNA 3494/4885
US-20140135307-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS CCR3, CCR1, CCR4 POLB 4432/4885TDP1 3572/4885LMNA 3494/4885
US-20150105371-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS CCR3, CCR1, CCR4 POLB 4432/4885TDP1 3572/4885LMNA 3494/4885

“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.