SCHEMBL16319072

SCHEMBL16319072

CCOC(=O)C=Cc1cccc(OCc2ccccc2)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.55
PTGER2 P43116 5/20 0.55
PTGER3 P43115 4/20 0.55
PTGER1 P34995 4/20 0.55
HDAC8 Q9BY41 1/20 0.55
MAPT P10636 2/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 2/20 0.48
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
CCND1 P24385 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL16319070 1.00 PTGER4 (0.55) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL9857590 0.91 PTGER1 (0.67) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL15668890 0.90 HDAC8 (0.52) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL15668889 0.90 HDAC8 (0.52) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL19511203 0.86 PTGER4 (0.60) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL19511202 0.86 PTGER4 (0.60) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL29191491 0.83 PTGER4 (0.53) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL16852753 0.83 KDM4E (0.55) MAPTL3MBTL1LMNAKDM4EALDH1A1
SCHEMBL19511425 0.82 PTGER4 (0.47) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL19511423 0.82 PTGER4 (0.47) PTGER4PTGER2PTGER3PTGER1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 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-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 PTGER4 364/4885PTGER2 1127/4885PTGER3 1051/4885

“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.