SCHEMBL13072739

SCHEMBL13072739

CC(C)CCc1cccc(OCCCOc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.50
▸ CYP4F2 P78329 1/20 0.46
▸ CYP4A11 Q02928 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KCNA3 P22001 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.44
▸ F2 P00734 1/20 0.44
▸ PLG P00747 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ C1S P09871 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ DRD4 P21917 2/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL26850251 0.84 TAAR1 (0.50) KCNH2L3MBTL1CYP2D6
SCHEMBL13596190 0.82 LTA4H (0.53) CYP4F2CYP4A11KCNA3F2PLG
SCHEMBL18714850 0.82 FDFT1 (0.53) MEN1KMT2AFFAR1
SCHEMBL10798983 0.80 BCHE (0.50) SLC2A1HPGDKCNA3KCNH2DRD2
SCHEMBL10235891 0.80 CYP2D6 (0.51) KCNH2KMT2AL3MBTL1CYP2D6
SCHEMBL4568770 0.80 PPARA (0.51) KCNH2L3MBTL1CYP2D6
SCHEMBL13072738 0.79 FFAR1 (0.59) SLC2A1DRD2DRD4DRD3L3MBTL1
SCHEMBL3966817 0.79 TDP1 (0.49) SLC2A1KCNH2L3MBTL1CYP2D6
SCHEMBL2207505 0.79 CSF3R (0.48) SLC2A1L3MBTL1CYP2D6
SCHEMBL609944 0.79 TAAR1 (0.47) KCNH2L3MBTL1CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010132743-A1 CORTICOSTEROID BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2010-11-18 — — WO disclosed
WO-2010126953-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2010-11-04 — — WO disclosed
US-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-24 — — US disclosed
US-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-24 — — US disclosed
WO-2009152171-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-17 — — 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-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY ADRB1, ADRB2, ADRB3 SLC2A1 3069/4885CYP4F2 1122/4885CYP4A11 151/4885

“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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