SCHEMBL5525469

SCHEMBL5525469

Fc1ccccc1OCCC1CCC2(CC1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
GPR119 Q8TDV5 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 2/20 0.38
IDO1 P14902 1/20 0.37
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
MCHR1 Q99705 1/20 0.36
FKBP1A P62942 1/20 0.36

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
SCHEMBL5527733 0.86 KDM4E (0.42) KDM4EHPGDFKBP1A
SCHEMBL5523163 0.80 GPR119 (0.52) GPR119HPGD
SCHEMBL8284706 0.80 HPGD (0.39) KDM4EL3MBTL1TDP1MEN1ALDH1A1
SCHEMBL30674532 0.78 IDO1 (0.52) KDM4EL3MBTL1TDP1MEN1ALDH1A1
SCHEMBL12366390 0.76 SLC6A2 (0.36) GPR119IDO1MCHR1
SCHEMBL27618042 0.76 HTR1A (0.50) KDM4EL3MBTL1TDP1MEN1ALDH1A1
SCHEMBL14451465 0.76 MCHR1 (0.46) KDM4EL3MBTL1TDP1MEN1ALDH1A1
SCHEMBL21055602 0.76 SLC6A2 (0.47) KDM4EIDO1
SCHEMBL5522793 0.74 L3MBTL1 (0.44) KDM4EL3MBTL1TDP1MEN1ALDH1A1
Hydrochloric Acid SCHEMBL5521810 0.74 MCHR1 (0.45) KDM4EL3MBTL1TDP1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
EP-1716100-A2 THERAPEUTIC AMIDE DERIVATIVES Pfizer, Inc. (US) 2006-11-02 EP disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 WO disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 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 (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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A KDM4E 2535/4885GPR119 325/4885L3MBTL1 4822/4885

“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.