SCHEMBL1658313

SCHEMBL1658313

CC(C)(C)c1ccc([I+](c2ccc(C(C)(C)C)cc2)[I+](OS(=O)(=O)C(F)(F)F)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 4/20 0.35
▸ HSD17B3 P37058 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ UQCRB P14927 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ TNF P01375 1/20 0.32
▸ KLF5 Q13887 1/20 0.32
▸ NOD1 Q9Y239 1/20 0.32
▸ KCNK9 Q9NPC2 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL1270050 0.73 HSD11B1 (0.39) HSD11B1HSD17B3ALDH1A1RAB9AUQCRB
SCHEMBL5950044 0.71 CA2 (0.34) HSD11B1CA1CA2CA9
SCHEMBL36628 0.70 CA1 (0.40) HSD11B1HSD17B3ALDH1A1RAB9AUQCRB
Trifluoromethanesulfonic Acid SCHEMBL8640775 0.68 HSD11B1 (0.41) HSD11B1HSD17B3ALDH1A1RAB9AUQCRB
Biphenyl SCHEMBL112616 0.66 CA1 (0.54) HSD11B1HSD17B3ALDH1A1RAB9AHSD17B2
SCHEMBL2832043 0.66 CA1 (0.63) HSD11B1HSD17B3ALDH1A1RAB9ANPC1
SCHEMBL5851781 0.65 CA1 (0.32) L3MBTL1CA1CA2CA9
SCHEMBL387181 0.65 HSD11B1 (0.50) HSD11B1HSD17B3ALDH1A1RAB9AUQCRB
SCHEMBL3136709 0.65 HSD11B1 (0.50) HSD11B1HSD17B3ALDH1A1RAB9AUQCRB
Biphenyl SCHEMBL4512369 0.65 CA1 (0.53) HSD11B1HSD17B3ALDH1A1RAB9AHSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2039707-B1 POLYMERIZABLE COMPOSITION ADEKA CORP (JP) 2011-11-23 — — EP disclosed
US-7927671-B2 Having two polymerizable groups at an end of a molecular long axis and one polymerizable group at an end of a molecular short axis; heat resistance, shrinkage, adhesive property, close adhesiveness, mechanical strength; liquid crystal display CHISSO CORPORATION (JP) 2011-04-19 — — US disclosed
US-7588806-B2 Homeotropically aligned liquid crystal film and process for producing the same CHISSO CORPORATION (JP) 2009-09-15 — — US disclosed
EP-2039707-A1 POLYMERIZABLE COMPOSITION Adeka Corporation (JP) 2009-03-25 — — EP disclosed
US-20080081133-A1 Trifunctional compound, composition and polymer thereof CHISSO CORPORATION 2008-04-03 — — US disclosed
US-7300604-B2 Tetrahydroxybenzene tetraester derivative and polymer thereof CHISSO CORPORATION (JP) 2007-11-27 — — US disclosed
US-20070128379-A1 Homeotropically aligned liquid crystal film and process for producing the same JNC PETROCHEMICAL CORPORATION (JP) 2007-06-07 — — US disclosed
US-20060180791-A1 Tetrahydroxybenzene tetraester derivative and polymer thereof CHISSO CORPORATION 2006-08-17 — — 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 (2 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-20080081133-A1 Trifunctional compound, composition and polymer thereof OXER1, AFF1, OXGR1 HSD11B1 1989/4885HSD17B3 2948/4885ALDH1A1 349/4885
US-20060180791-A1 Tetrahydroxybenzene tetraester derivative and polymer thereof TELO2, TTI1, CYP1B1 HSD11B1 597/4885HSD17B3 1007/4885ALDH1A1 221/4885

“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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