SCHEMBL19039728

SCHEMBL19039728

C=C(C)C(=O)OC(C(=O)OC)C(OC(=O)C(=C)C)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TSHR P16473 3/20 0.43
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CA14 Q9ULX7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ABCB1 P08183 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
SCHEMBL18459923 1.00 ALDH1A1 (0.54) ALDH1A1TSHRTHRBSMN1; SMN2CA14
SCHEMBL16970982 0.80 TSHR (0.41) ALDH1A1TSHRTHRBABCB1
SCHEMBL1657006 0.80 ALDH1A1 (0.52) ALDH1A1TSHRTHRBSMN1; SMN2CA14
SCHEMBL2909111 0.76 ALDH1A1 (0.46) ALDH1A1TSHRTHRBTDP1
SCHEMBL10011167 0.75 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2CA14TDP1
SCHEMBL10204588 0.75 ALDH1A1 (0.46) ALDH1A1TSHRTHRBSMN1; SMN2
SCHEMBL10243291 0.75 ALDH1A1 (0.46) ALDH1A1TSHRTHRBSMN1; SMN2
SCHEMBL11706949 0.74 ALDH1A1 (0.45) ALDH1A1TSHRTHRBSMN1; SMN2
SCHEMBL9627380 0.73 ALDH1A1 (0.68) ALDH1A1TSHRTHRBSMN1; SMN2TDP1
SCHEMBL10012904 0.72 SMN1; SMN2 (0.43) ALDH1A1TSHRSMN1; SMN2CA14ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3155056-B1 INK, INK CARTRIDGE, INKJET RECORDING APPARATUS, PRINTED MATTER, PHOTOPOLYMERIZABLE COMPOUND, PHOTOCURABLE COMPOSITION, THREE-DIMENSIONAL OBJECT FORMATION MATERIAL, AND THREE-DIMENSIONAL OBJECT RICOH CO LTD (JP) 2021-02-10 EP disclosed
US-10174215-B2 Ink, ink cartridge, inkjet recording apparatus, printed matter, photopolymerizable compound, photocurable composition, three-dimensional object formation material, and three-dimensional object RICOH COMPANY, LTD. (JP) 2019-01-08 US disclosed
US-20170183519-A1 INK, INK CARTRIDGE, INKJET RECORDING APPARATUS, PRINTED MATTER, PHOTOPOLYMERIZABLE COMPOUND, PHOTOCURABLE COMPOSITION, THREE-DIMENSIONAL OBJECT FORMATION MATERIAL, AND THREE-DIMENSIONAL OBJECT RICOH COMPANY, LTD. (JP) 2017-06-29 US disclosed
US-20170183519-A1 INK, INK CARTRIDGE, INKJET RECORDING APPARATUS, PRINTED MATTER, PHOTOPOLYMERIZABLE COMPOUND, PHOTOCURABLE COMPOSITION, THREE-DIMENSIONAL OBJECT FORMATION MATERIAL, AND THREE-DIMENSIONAL OBJECT RICOH COMPANY, LTD. (JP) 2017-06-29 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-20170183519-A1 INK, INK CARTRIDGE, INKJET RECORDING APPARATUS, PRINTED MATTER, PHOTOPOLYMERIZABLE COMPOUND, PHOTOCURABLE COMPOSITION, THREE-DIMENSIONAL OBJECT FORMATION MATERIAL, AND THREE-DIMENSIONAL OBJECT DOT1L, RB1, DNMT3A ALDH1A1 322/4885TSHR 4440/4885THRB 4284/4885
US-10174215-B2 Ink, ink cartridge, inkjet recording apparatus, printed matter, photopolymerizable compound, photocurable composition, three-dimensional object formation material, and three-dimensional object DOT1L, RB1, DNMT3A ALDH1A1 322/4885TSHR 4440/4885THRB 4284/4885

“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.