SCHEMBL8080698

SCHEMBL8080698

CC(C)CCC(C)NC(C)CCC(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL19119836 0.88 ALDH1A1 (0.33) ALDH1A1
SCHEMBL19080590 0.87 TDP1 (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL277041 0.80 LMNA (0.50) ALDH1A1LMNA
SCHEMBL19091354 0.80 ADH1B (0.50) LMNA
SCHEMBL20988131 0.80 TRPM8 (0.30)
SCHEMBL12580592 0.76
SCHEMBL23613090 0.76 TAS1R3 (0.31) TAS1R3TAS1R1TAS1R2
SCHEMBL83493 0.76
SCHEMBL16469013 0.76
SCHEMBL20210214 0.74 TDP1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-6051360-A A REACTION PRODUCT OF A CHROMOPHORIC NUCLEUS AND A BISPHENOL; EXCELLENT SOLUBILITY IN SOLVENTS AND BINDER RESINS; COLOR FILTERS FOR DISPLAY DEVICES SUCH AS LIQUID CRYSTAL TELEVISION AND COLOR SEPARATION FILTERS FOR IMAGE PICKUP TUBES MITSUI CHEMICALS, INC. (JP) 2000-04-18 US disclosed
EP-0519423-B1 Phthalocyanine compounds and usage thereof MITSUI CHEMICALS INC (JP) 1999-03-03 EP disclosed
US-5773172-A SOLVENT AND BINDER SOLUBILITY MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-30 US disclosed
EP-0564237-B1 Preparation of color filter and photo-setting resin therefor MITSUI TOATSU CHEMICALS (JP) 1998-03-11 EP disclosed
US-5695911-A CONTAINING PHTHALOCYANINE COMPOUND MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-12-09 US disclosed
US-5482804-A Resin composition for color filter MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-01-09 US disclosed
EP-0633296-A1 Novel dyestuffs and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-01-11 EP disclosed
US-5380842-A Color filters MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-01-10 US disclosed
EP-0564237-A2 Preparation of color filter and photo-setting resin therefor MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-10-06 EP disclosed
EP-0519423-A2 Phthalocyanine compounds and usage thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-12-23 EP 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 ALDH1A1 1707/4885TAS1R3 3028/4885TAS1R1 3364/4885

“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.