SCHEMBL578469

SCHEMBL578469

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
TSHR P16473 1/20 0.37
PDE4D Q08499 1/20 0.37
NAAA Q02083 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
LTA4H P09960 1/20 0.33
REN P00797 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GBA1 P04062 2/20 0.32
UGCG Q16739 2/20 0.32
GBA2 Q9HCG7 2/20 0.32
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL578467 1.00 TAAR1 (0.40) TAAR1TSHRPDE4DNAAABCHE
SCHEMBL578468 1.00 TAAR1 (0.40) TAAR1TSHRPDE4DNAAABCHE
SCHEMBL21374478 0.86 PDE4D (0.47) TAAR1TSHRPDE4DNAAABCHE
SCHEMBL578711 0.82 PDE4D (0.47) TAAR1TSHRPDE4DNAAABCHE
SCHEMBL578712 0.82 PDE4D (0.47) TAAR1TSHRPDE4DNAAABCHE
SCHEMBL578710 0.82 PDE4D (0.47) TAAR1TSHRPDE4DNAAABCHE
SCHEMBL25906367 0.76 PSEN1 (0.42) TSHRBCHEACHEMAPTCYP2C19
SCHEMBL18692808 0.76 TSHR (0.47) TAAR1TSHRPDE4DNAAABCHE
SCHEMBL13226430 0.74 TSHR (0.61) TSHRNAAALTA4HTDP1L3MBTL1
SCHEMBL27676364 0.74 TSHR (0.61) TSHRNAAALTA4HTDP1L3MBTL1

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 TAAR1 4648/4885TSHR 3426/4885PDE4D 2410/4885

“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.