SCHEMBL979377

SCHEMBL979377

CCOC(=O)/C(=C/c1ccc(OCc2ccccc2)c(Cc2ccccc2)c1)OCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.52
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.45
ALDH1A1 P00352 3/20 0.44
PTGER1 P34995 6/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
APP P05067 1/20 0.41
ELANE P08246 3/20 0.41
PTGER4 P35408 2/20 0.41
PTGER3 P43115 2/20 0.41
PTGER2 P43116 2/20 0.41
F2 P00734 1/20 0.41
ESR1 P03372 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
SCHEMBL979378 1.00 NR1H4 (0.52) NR1H4LMNAKDM4EMAPTALDH1A1
SCHEMBL6820096 0.92 KDM4E (0.48) NR1H4LMNAKDM4EALDH1A1PTGER1
SCHEMBL6820100 0.92 KDM4E (0.48) NR1H4LMNAKDM4EALDH1A1PTGER1
SCHEMBL6820102 0.92 KDM4E (0.48) NR1H4LMNAKDM4EALDH1A1PTGER1
SCHEMBL3370127 0.87 NR1H4 (0.55) NR1H4LMNAKDM4EMAPTALDH1A1
SCHEMBL5992736 0.85 LMNA (0.60) NR1H4LMNAKDM4EMAPTALDH1A1
SCHEMBL3370598 0.85 LMNA (0.60) NR1H4LMNAKDM4EMAPTALDH1A1
SCHEMBL3370992 0.85 NR1H4 (0.53) NR1H4LMNAKDM4EMAPTALDH1A1
SCHEMBL6819705 0.83 KDM4E (0.48) NR1H4LMNAKDM4EMAPTALDH1A1
SCHEMBL6819699 0.83 KDM4E (0.48) NR1H4LMNAKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181181-B2 2-substituted-3-phenylpropionic acid derivatives and their use in the treatment of inflammatory bowel disease ALBIREO AB (SE) 2015-11-10 US disclosed
US-20140303175-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease ALBIREO AB (SE) 2014-10-09 US disclosed
US-8785681-B2 2-substituted-3-phenylpropionic acid derivatives and their use in the treatment of inflammatory bowel disease ALBIREO AB (SE) 2014-07-22 US disclosed
EP-2125711-B1 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALBIREO AB (SE) 2013-11-06 EP disclosed
US-20110166157-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease ALBIREO AB (SE) 2011-07-07 US disclosed
US-20110021534-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALBIREO AB (SE) 2011-01-27 US disclosed
EP-2125711-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE Albireo Ab (SE) 2009-12-02 EP disclosed
WO-2008108735-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALBIREO AB (SE) 2008-09-12 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-20110021534-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE TPMT, FABP2, PTGES2 NR1H4 93/4885LMNA 4575/4885KDM4E 841/4885
US-20140303175-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease TPMT, FABP2, PTGES3 NR1H4 124/4885LMNA 4572/4885KDM4E 1332/4885
US-20110166157-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease TPMT, FABP2, PTGES3 NR1H4 124/4885LMNA 4572/4885KDM4E 1332/4885

“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.