SCHEMBL4848561

SCHEMBL4848561

CC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)c1oc(-c2ccccc2)nc1CO

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.39
KDM4E B2RXH2 2/20 0.37
PPARA Q07869 11/20 0.36
PPARG P37231 10/20 0.36
PPARD Q03181 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
FFAR1 O14842 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
SCHEMBL4850276 0.82 FFAR1 (0.52) KDRPPARAPPARGPPARDFFAR1
SCHEMBL5779490 0.71 AHR (0.39) RAB9ANPC1
SCHEMBL8870424 0.69
SCHEMBL29162761 0.69 KDM4E (0.48) KDRKDM4EPPARAPPARGPPARD
SCHEMBL2745021 0.68 LTA4H (0.38) PPARAPPARGTSHR
SCHEMBL4848563 0.67 TSHR (0.41) KDRKDM4EPPARAPPARGPPARD
SCHEMBL4037331 0.66 KDM4E (0.69) KDRKDM4EPPARAPPARGPPARD
SCHEMBL7796083 0.66 NOTUM (0.50) KDRKDM4EPPARAPPARGRAB9A
SCHEMBL7985829 0.65 ADRB2 (0.34) TSHR
SCHEMBL8796135 0.65 TSHR (0.34) TSHR

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 3 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-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

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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 KDR 2335/4885KDM4E 719/4885PPARA 519/4885

“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.