Sugi Predict

Sugi Predict / Compounds / SCHEMBL11948726

SCHEMBL11948726

SCHEMBL11948726

CCCCN(CCCC)c1ccc(C=C2C(=O)c3ccccc3S2(=O)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.57
▸ ESR2 Q92731 1/20 0.57
▸ AR P10275 1/20 0.47
▸ MAOA P21397 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ ALPL P05186 3/20 0.36
▸ ALPI P09923 3/20 0.36
▸ INSR P06213 1/20 0.35

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
SCHEMBL13317605 0.83 MEN1 (0.41) ESR1ESR2ARPOLBMEN1
SCHEMBL12081669 0.81 ESR1 (0.68) ESR1ESR2MAOAMAOBALPL
SCHEMBL11948708 0.81 AR (0.50) ARPOLBMEN1ALDH1A1CYP1A2
SCHEMBL28460266 0.78 AR (0.59) ARPOLBL3MBTL1MEN1ALDH1A1
SCHEMBL12865827 0.78 AR (0.37) ESR1ESR2ARPOLBL3MBTL1
SCHEMBL15695018 0.76 ESR1 (0.77) ESR1ESR2MAOAL3MBTL1MEN1
SCHEMBL3483852 0.76 ESR1 (0.77) ESR1ESR2MAOAL3MBTL1MEN1
SCHEMBL12954691 0.74 AR (0.37) ESR1ESR2ARPOLBL3MBTL1
SCHEMBL14305630 0.73 ATG4B (0.36) ESR1ESR2ARPOLBL3MBTL1
SCHEMBL14099570 0.72 MAPT (0.67) ARPOLBMEN1ALDH1A1CYP1A2

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-8231754-B2 Coloring composition, thermal transfer recording ink sheet, thermal transfer recording method, color toner, inkjet ink, color filter, and dye compound FUJIFILM CORPORATION (JP) 2012-07-31 — — US disclosed
US-8231754-B2 Coloring composition, thermal transfer recording ink sheet, thermal transfer recording method, color toner, inkjet ink, color filter, and dye compound FUJIFILM CORPORATION (JP) 2012-07-31 — — US disclosed
US-20090218039-A1 COLORING COMPOSITION, THERMAL TRANSFER RECORDING INK SHEET, THERMAL TRANSFER RECORDING METHOD, COLOR TONER, INKJET INK, COLOR FILTER, AND DYE COMPOUND FUJIFILM CORPORATION (JP) 2009-09-03 — — US disclosed
US-20090218039-A1 COLORING COMPOSITION, THERMAL TRANSFER RECORDING INK SHEET, THERMAL TRANSFER RECORDING METHOD, COLOR TONER, INKJET INK, COLOR FILTER, AND DYE COMPOUND FUJIFILM CORPORATION (JP) 2009-09-03 — — 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-20090218039-A1 COLORING COMPOSITION, THERMAL TRANSFER RECORDING INK SHEET, THERMAL TRANSFER RECORDING METHOD, COLOR TONER, INKJET INK, COLOR FILTER, AND DYE COMPOUND CRY2, DOT1L, TRMT1 ESR1 3661/4885ESR2 3338/4885AR 1879/4885

“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.