SCHEMBL13935554

SCHEMBL13935554

CCCCCCCOC1CCC2OC2C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GBA1 P04062 2/20 0.38
EPHX2 P34913 1/20 0.37
PPP5C P53041 1/20 0.34

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
SCHEMBL13423667 1.00 ALDH1A1 (0.40) ALDH1A1TDP1GBA1EPHX2PPP5C
SCHEMBL11787467 1.00 ALDH1A1 (0.40) ALDH1A1TDP1GBA1EPHX2PPP5C
SCHEMBL13321431 0.93 PPP5C (0.39) ALDH1A1TDP1EPHX2PPP5C
SCHEMBL6426397 0.91
SCHEMBL13294279 0.91
SCHEMBL11789856 0.89 GBA1 (0.42) ALDH1A1TDP1GBA1EPHX2PPP5C
SCHEMBL11761049 0.89
SCHEMBL18605299 0.81 PPP5C (0.42) ALDH1A1TDP1GBA1EPHX2PPP5C
SCHEMBL18603166 0.81 PPP5C (0.42) ALDH1A1TDP1GBA1EPHX2PPP5C
SCHEMBL6840339 0.81 PPP5C (0.42) ALDH1A1TDP1GBA1EPHX2PPP5C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090041945-A1 ACTIVE RAY CURABLE COMPOSITION, POLYMERIZATION METHOD, ACTIVE RAY CURABLE INK, IMAGE FORMING METHOD, AND INK-JET RECORDING APPARATUS KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2009-02-12 US disclosed
US-20080180501-A1 Actinic Ray Curable Composition, Actinic Ray Curable Ink, Image Forming Method Utilizing the Same, Ink-Jet Recording Apparatus and Epoxy Compound KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-07-31 US disclosed
US-7390840-B2 Active ray curable composition, active ray curable ink, image forming method and inkjet recording apparatus utilizing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-06-24 US disclosed
US-20080107821-A1 Polymerizable Actinic Radiation Curable Composition, Polymerization Method, Actinic Radiation Curable Ink and Image Formation Method, and Ink Jet Recording Apparatus and Epoxy Compound KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-05-08 US disclosed
US-20080012918-A1 Actinic Radiation Curable Ink-Jet Ink, And Image Forming Method And Ink-Jet Recording Apparatus Using The Same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-01-17 US disclosed
EP-1840148-A1 POLYMERIZABLE ACTINIC RADIATION CURABLE COMPOSITION, POLYMERIZATION METHOD, ACTINIC RADIATION CURABLE INK AND IMAGE FORMATION METHOD, AND INK JET RECORDING APPARATUS AND EPOXY COMPOUND Konica Minolta Medical & Graphic, Inc. (JP) 2007-10-03 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 (3 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-20080180501-A1 Actinic Ray Curable Composition, Actinic Ray Curable Ink, Image Forming Method Utilizing the Same, Ink-Jet Recording Apparatus and Epoxy Compound ROCK1, MACF1, ACTN1 ALDH1A1 2444/4885TDP1 1632/4885GBA1 4521/4885
US-20080107821-A1 Polymerizable Actinic Radiation Curable Composition, Polymerization Method, Actinic Radiation Curable Ink and Image Formation Method, and Ink Jet Recording Apparatus and Epoxy Compound CBR3, CBR1, CNR1 ALDH1A1 3110/4885TDP1 3529/4885GBA1 3666/4885
US-20090041945-A1 ACTIVE RAY CURABLE COMPOSITION, POLYMERIZATION METHOD, ACTIVE RAY CURABLE INK, IMAGE FORMING METHOD, AND INK-JET RECORDING APPARATUS RIF1, NAP1L4, NAP1L1 ALDH1A1 2785/4885TDP1 676/4885GBA1 2848/4885

“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.