SCHEMBL767167

SCHEMBL767167

O=CCOc1[c]cccc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
CTSL P07711 2/20 0.36
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL28290479 0.81 ALDH1A1 (0.33) ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL482463 0.80 HPGD (0.39) ALDH1A1HPGD
SCHEMBL525712 0.80
SCHEMBL10397205 0.77 AOC3 (0.32)
SCHEMBL27495269 0.77 AOC3 (0.32)
SCHEMBL10397204 0.77 AOC3 (0.32)
SCHEMBL11171654 0.77 AOC3 (0.32)
SCHEMBL6727394 0.77
SCHEMBL6238419 0.76 JAK2 (0.33) ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1984410 0.76 MAOB (0.35) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
US-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 US disclosed
US-20130245025-A1 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-19 US disclosed
EP-2619200-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-07-31 EP disclosed
US-8383670-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-26 US disclosed
EP-2477982-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2012-07-25 EP disclosed
WO-2012040511-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-29 WO disclosed
US-20120071516-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-22 US disclosed
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-09-01 US disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 WO disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 US disclosed
US-7906553-B2 Substituted thiophene modulators of intracellular calcium CALCIMEDICA, INC. (US) 2011-03-15 US disclosed
US-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-10-14 US disclosed
EP-0830638-B1 PRE-DYES AND COMPOSITIONS COMPRISING THEM KIMBERLY CLARK CO (US) 2000-08-23 EP disclosed
US-6063551-A A LEUCO DYE ASSOCIATED WITH A RADIATION TRANSORBER WHERE THE RADIATION TRANSORBER COMPRISES A WAVELENGTH-SELECTIVE SENSITIZER COVALENTLY BONDED TO A REACTIVE SPECIES-GENERATING PHOTOREACTOR; PHTHALOYLGLYCINE; 4-(4-HYDROXYPHENYL)BUT-2-ONE KIMBERLY-CLARK WORLDWIDE, INC. (US) 2000-05-16 US disclosed
US-5837429-A DYE COVALENTLY BOUND TO RADIATION TRANSORBER THAT IS COLORLESS AND WILL FORM COLOR WHEN IRRADIATED KIMBERLY-CLARK WORLDWIDE (US) 1998-11-17 US disclosed
US-5786132-A Pre-dyes, mutable dye compositions, and methods of developing a color KIMBERLY-CLARK CORPORATION (US) 1998-07-28 US disclosed
EP-0830638-A1 NOVEL PRE-DYES Kimberly-Clark Worldwide, Inc. (US) 1998-03-25 EP disclosed
WO-1996039646-A1 NOVEL PRE-DYES KIMBERLY-CLARK WORLDWIDE, INC. (US) 1996-12-12 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 (6 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-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CTSS 1220/4885CTSK 1533/4885CTSL 2660/4885
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CTSS 1220/4885CTSK 1533/4885CTSL 2660/4885
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CTSS 1220/4885CTSK 1533/4885CTSL 2660/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 CTSS 1220/4885CTSK 1533/4885CTSL 2660/4885
US-20120071516-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CTSS 1220/4885CTSK 1533/4885CTSL 2660/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CTSS 1220/4885CTSK 1533/4885CTSL 2660/4885

“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.