SCHEMBL6495369

SCHEMBL6495369

CC(C)(C)c1cc(-c2ccc(C=CCO)cc2)cc(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRB P28702 8/20 0.47
▸ RXRA P19793 7/20 0.47
▸ RXRG P48443 3/20 0.47
▸ CYP3A4 P08684 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ GABRA1 P14867 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ ASIC1 P78348 1/20 0.35
▸ EGFR P00533 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
SCHEMBL6495364 1.00 RXRB (0.47) RXRBRXRARXRGCYP3A4ALDH1A1
SCHEMBL6497958 0.83 PPARG (0.46) RXRBRXRARXRGCYP3A4ALDH1A1
SCHEMBL5801550 0.82 CYP1A2 (0.55) CYP3A4ALDH1A1RECQLMAPTMAPK1
SCHEMBL5818193 0.82 CYP1A2 (0.55) CYP3A4ALDH1A1RECQLMAPTMAPK1
SCHEMBL4526927 0.75 RXRB (0.65) RXRBRXRARXRGMAPTGABRA1
SCHEMBL414084 0.75 RXRB (0.65) RXRBRXRARXRGMAPTGABRA1
SCHEMBL28437771 0.75 PTGS1 (0.49) CYP3A4ALDH1A1RECQLCYP1A2
SCHEMBL28437772 0.75 PTGS1 (0.49) CYP3A4ALDH1A1RECQLCYP1A2
SCHEMBL6484162 0.74 ALDH1A1 (0.47) RXRBRXRACYP3A4ALDH1A1RECQL
SCHEMBL6484173 0.74 ALDH1A1 (0.47) RXRBRXRACYP3A4ALDH1A1RECQL

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-6867218-B2 Compounds, their preparation and use NOVO NORDISK A/S (DK) 2005-03-15 — — US disclosed
US-20030195200-A1 Compounds, their preparation and use VTVX HOLDINGS II LLC 2003-10-16 — — US disclosed
US-6555577-B1 For treatment and/or prevention of conditions mediated by the Peroxisome Proliferator-Activated Receptors (PPAR), such as diabetes and/or obesity; 3-(4-(3-Biphenyl-4-yl-but-2-enyloxy)-phenyl)-2-butoxy-propionic acid for example NOVO NORDISK A/S (DE) 2003-04-29 — — 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-20030195200-A1 Compounds, their preparation and use PPARG, PPARA, PPARD RXRB 19/4885RXRA 23/4885RXRG 17/4885

“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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