SCHEMBL5638782

SCHEMBL5638782

O=C(O)CCOCCOc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ALOX15 P16050 1/20 0.53
▸ PARP10 Q53GL7 1/20 0.53
▸ FFAR1 O14842 4/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ PPARA Q07869 1/20 0.51
▸ RECQL P46063 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ KCNA3 P22001 1/20 0.50

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
SCHEMBL12223524 1.00 PKM (0.56) PKML3MBTL1ALOX15PARP10FFAR1
SCHEMBL38674 0.88 L3MBTL1 (0.68) PKML3MBTL1ALOX15PARP10FFAR1
SCHEMBL19943228 0.87 PPARA (0.59) PKML3MBTL1PARP10FFAR1ALDH1A1
SCHEMBL1009668 0.86 HDAC1 (0.62) FFAR1HDAC1HDAC2PPARAKCNA3
SCHEMBL10877978 0.86 L3MBTL1 (0.66) PKML3MBTL1ALOX15PARP10FFAR1
SCHEMBL12224513 0.85 L3MBTL1 (0.56) L3MBTL1FFAR1RECQL
SCHEMBL11136614 0.85 PARP10 (0.59) PKML3MBTL1PARP10ALDH1A1HDAC1
SCHEMBL12224519 0.85 L3MBTL1 (0.56) L3MBTL1FFAR1RECQL
SCHEMBL3972378 0.85 ALOX15 (0.64) PKMALOX15PARP10FFAR1ALDH1A1
Acetic Acid SCHEMBL7153603 0.84 PKM (0.60) PKML3MBTL1ALOX15PARP10ALDH1A1

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
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 — — US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 — — US disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 — — EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 — — 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-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R PKM 1481/4885L3MBTL1 2576/4885ALOX15 610/4885

“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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