SCHEMBL5959458

SCHEMBL5959458

CC(C)c1cccc(-c2ccc(C(=CCSc3ccc(OCC(=O)O)cc3)c3ccc(-c4cccc(C(C)C)c4)cc3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 7/20 0.48
▸ RXRA P19793 1/20 0.48
▸ RXRB P28702 1/20 0.48
▸ RXRG P48443 1/20 0.48
▸ MAPT P10636 2/20 0.39
▸ CTSA P10619 1/20 0.39
▸ PPARG P37231 6/20 0.39
▸ PPARA Q07869 4/20 0.39
▸ LMNA P02545 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38

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
SCHEMBL5959738 0.90 PPARD (0.51) PPARDRXRARXRBMAPTPPARG
SCHEMBL5959488 0.88 PPARD (0.66) PPARDRXRARXRBRXRGPPARA
SCHEMBL5959520 0.87 PPARD (0.53) PPARDMAPTPPARGPPARALMNA
SCHEMBL5959601 0.87 RXRA (0.53) PPARDRXRARXRBRXRGMAPT
SCHEMBL5959743 0.86 PPARD (0.53) PPARDMAPTPPARGPPARALMNA
SCHEMBL5959692 0.86 PPARD (0.53) PPARDMAPTPPARGPPARALMNA
SCHEMBL5959489 0.86 PPARD (0.50) PPARDRXRARXRBMAPTPPARG
SCHEMBL5959765 0.86 PPARD (0.50) PPARDMAPTPPARGPPARALMNA
SCHEMBL5959493 0.86 PPARD (0.50) PPARDRXRARXRBPPARALMNA
SCHEMBL5959714 0.85 PPARD (0.53) PPARDRXRARXRBRXRGMAPT

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-7091245-B2 Compounds, their preparation and use NOVO NOVDISK A/S (DK) 2006-08-15 — — US claimed
EP-1537076-A1 NOVEL VINYL CARBOXYLIC ACID DERIVATIVES AND THEIR THERAPEUTICAL USE NOVO NORDISK A/S (DK) 2005-06-08 — — EP claimed
US-20040143006-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-07-22 — — US claimed
WO-2004022533-A1 NOVEL VINYL CARBOXYLIC ACID DERIVATIVES AND THEIR THERAPEUTICAL USE NOVO NORDISK A/S (DK) 2004-03-18 — — WO claimed
US-7091245-B2 Compounds, their preparation and use NOVO NOVDISK A/S (DK) 2006-08-15 — — US disclosed
US-20040143006-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-07-22 — — 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-20040143006-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA PPARD 2/4885RXRA 10/4885RXRB 8/4885

“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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