SCHEMBL6724557

SCHEMBL6724557

CC(=O)OCCn1ccc2ccc(O)cc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.46
▸ MTNR1B P49286 4/20 0.46
▸ MCL1 Q07820 12/20 0.45
▸ KMO O15229 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ BCL2 P10415 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL26620578 0.89 MTNR1A (0.42) MTNR1AMTNR1BMCL1ALDH1A1KDM4E
SCHEMBL27593266 0.84 MTNR1A (0.45) MTNR1AMTNR1BMCL1KMOALDH1A1
SCHEMBL8163392 0.81 MAPK1 (0.60) MTNR1AMTNR1BALDH1A1MAPK1
SCHEMBL8303038 0.80 MCL1 (0.57) MTNR1AMTNR1BMCL1BCL2
SCHEMBL27732822 0.80 HTR7 (0.54) MTNR1AMTNR1BMCL1
SCHEMBL6919592 0.79 HTR7 (0.57) MCL1BCL2
SCHEMBL4653660 0.77 KDM4E (0.44) MTNR1AMTNR1BMCL1KMOALDH1A1
SCHEMBL5778935 0.76 MAPK1 (0.39) MTNR1AMTNR1BMCL1KMOALDH1A1
SCHEMBL27593312 0.76 PRKCI (0.47) MTNR1AMTNR1BMCL1ALDH1A1MAPK1
SCHEMBL27639166 0.75 MTNR1A (0.46) MTNR1AMTNR1BMCL1KDM4EBCL2

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
CN-100509802-C Heteroaryl deravatives as PPAR activators HOFFMANN LA ROCHE (CH) 2009-07-08 — — CN disclosed
CN-100467463-C Pyrazolylindolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2009-03-11 — — CN disclosed
CN-101001837-A Indole derivatives comprising an acetylene group as PPAR activators HOFFMANN LA ROCHE (CH) 2007-07-18 — — CN disclosed
CN-1930150-A Pyrazolyl indolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2007-03-14 — — CN disclosed
CN-1878768-A heteroaryl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2006-12-13 — — CN disclosed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 — — US 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-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 MTNR1A 3189/4885MTNR1B 2041/4885MCL1 4645/4885

“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.

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