SCHEMBL4845287

SCHEMBL4845287

COC(OC)c1nc(-c2ccccc2)oc1CCc1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
PPARA Q07869 5/20 0.38
VDR P11473 2/20 0.37
PPARD Q03181 2/20 0.37
ACP1 P24666 1/20 0.37
PPARG P37231 5/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
KDR P35968 1/20 0.36
MAPT P10636 3/20 0.36
BCHE P06276 1/20 0.36
ELANE P08246 1/20 0.35
TP53 P04637 2/20 0.34
MMP12 P39900 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
SCHEMBL4847942 0.82 FFAR1 (0.63) FFAR1PPARAPPARDPPARGKDR
SCHEMBL4030911 0.82 ALDH1A1 (0.41) FFAR1ALDH1A1TSHRPPARAPPARD
SCHEMBL4848002 0.80 KDM4E (0.41) ALDH1A1TSHRPPARAPPARGKDR
SCHEMBL4845281 0.77 FFAR1 (0.43) FFAR1ALDH1A1TSHRPPARAVDR
SCHEMBL4848598 0.71 TSHR (0.34) ALDH1A1TSHRPPARAPPARDPPARG
SCHEMBL4851678 0.69 FFAR1 (0.70) FFAR1PPARAPPARDPPARGKDR
SCHEMBL4029802 0.67 TSHR (0.38) ALDH1A1TSHRMAPTELANE
SCHEMBL7879356 0.64 FFAR1 (0.40) FFAR1PPARAPPARDPPARGMAPT
SCHEMBL7879351 0.64 FFAR1 (0.40) FFAR1PPARAPPARDPPARGMAPT
SCHEMBL27314005 0.63 FFAR1 (0.54) FFAR1ALDH1A1TSHRPPARAPPARG

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-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP disclosed
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 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 (2 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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 FFAR1 14/4885ALDH1A1 134/4885TSHR 2362/4885
US-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 FFAR1 771/4885ALDH1A1 821/4885TSHR 2067/4885

“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.