SCHEMBL578710

SCHEMBL578710

O[C@H]1COC[C@@H]1OCCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.47
TAAR1 Q96RJ0 1/20 0.43
UGCG Q16739 5/20 0.41
GBA2 Q9HCG7 5/20 0.41
GBA1 P04062 4/20 0.41
TSHR P16473 1/20 0.40
REN P00797 3/20 0.38
NAAA Q02083 1/20 0.37
LCT P09848 2/20 0.36
SI P14410 2/20 0.36
SLC6A2 P23975 1/20 0.36
MGAM O43451 1/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 1/20 0.36
LTA4H P09960 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL578711 1.00 PDE4D (0.47) PDE4DTAAR1UGCGGBA2GBA1
SCHEMBL578712 1.00 PDE4D (0.47) PDE4DTAAR1UGCGGBA2GBA1
SCHEMBL21374478 0.86 PDE4D (0.47) PDE4DTAAR1TSHRRENNAAA
SCHEMBL6671511 0.86 PDE4D (0.46) PDE4DTSHRSLC6A2BCHEACHE
SCHEMBL6669362 0.86 PDE4D (0.46) PDE4DTSHRSLC6A2BCHEACHE
SCHEMBL9074021 0.86 PDE4D (0.46) PDE4DTSHRSLC6A2BCHEACHE
SCHEMBL9074022 0.86 PDE4D (0.46) PDE4DTSHRSLC6A2BCHEACHE
SCHEMBL6671515 0.86 PDE4D (0.46) PDE4DTSHRSLC6A2BCHEACHE
SCHEMBL578467 0.82 TAAR1 (0.40) PDE4DTAAR1UGCGGBA2GBA1
SCHEMBL578468 0.82 TAAR1 (0.40) PDE4DTAAR1UGCGGBA2GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418203-B1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO CO LTD (JP) 2013-12-11 EP disclosed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 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-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP BMP2, BMP4, BMP6 PDE4D 2410/4885TAAR1 4648/4885UGCG 2255/4885

“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.