SCHEMBL13935488

SCHEMBL13935488

CCCCCCOCC1CCC2OC2C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 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
SCHEMBL14256301 1.00 ALDH1A1 (0.50) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL13935383 1.00 ALDH1A1 (0.50) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL5278688 1.00 ALDH1A1 (0.50) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL5820808 0.98 ALDH1A1 (0.47) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL16556737 0.95 ALDH1A1 (0.45) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL5817823 0.93 SMN1; SMN2 (0.47) ALDH1A1TDP1SMN1; SMN2
SCHEMBL29581677 0.91 TSHR (0.39) ALDH1A1TDP1SMN1; SMN2
SCHEMBL5275198 0.90 SMN1; SMN2 (0.44) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL11759538 0.89 TSHR (0.40) ALDH1A1TDP1SMN1; SMN2
SCHEMBL5822587 0.88 SMN1; SMN2 (0.36) ALDH1A1TDP1SMN1; SMN2

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-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER DIC CORPORATION (JP) 2018-01-25 US disclosed
US-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-12-21 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 1632/4885SMN1; SMN2 2311/4885
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 3529/4885SMN1; SMN2 2056/4885
US-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY PBDC1, RCC1, PUF60 ALDH1A1 2864/4885TDP1 859/4885SMN1; SMN2 2476/4885
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER SMC4, MAP1LC3C, ZW10 ALDH1A1 3195/4885TDP1 2599/4885SMN1; SMN2 2546/4885
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 676/4885SMN1; SMN2 2071/4885

“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.