SCHEMBL12294355

SCHEMBL12294355

CCOC(=O)C(=C/C=C/N(CCO)CCO)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.46
NPSR1 Q6W5P4 3/20 0.42
ALDH1A1 P00352 4/20 0.40
GAA P10253 3/20 0.40
CYP2D6 P10635 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 5/20 0.34
LMNA P02545 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
DHODH Q02127 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
PLIN1 O60240 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL12294368 0.87 GLO1 (0.33) GLO1ALDH1A1GAAPOLB
SCHEMBL14095063 0.85 GLO1 (0.44) GLO1NPSR1ALDH1A1GAACYP2D6
SCHEMBL12294360 0.84 ATM (0.39) GLO1NPSR1ALDH1A1MAPTTDP1
SCHEMBL19240026 0.84 GLO1 (0.50) GLO1NPSR1ALDH1A1GAACYP2D6
SCHEMBL12292351 0.84 GLO1 (0.36) GLO1NPSR1CYP2C9CYP1A2
SCHEMBL12292852 0.80 CYP2C9 (0.51) NPSR1ALDH1A1GAACYP2D6SMN1; SMN2
SCHEMBL9889247 0.80 GLO1 (0.50) GLO1NPSR1ALDH1A1GAACYP2D6
SCHEMBL9892450 0.80 GLO1 (0.46) GLO1NPSR1ALDH1A1GAACYP2D6
SCHEMBL14279175 0.79 GLO1 (0.52) GLO1NPSR1ALDH1A1GAACYP2D6
SCHEMBL12758230 0.79 GLO1 (0.44) GLO1NPSR1ALDH1A1GAACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160058682-A1 COMPOSITION CONTAINING A DIBENZOYLMETHANE SCREENING AGENT AND A HYDROPHILIC OR WATER-SOLUBLE MEROCYANIN UV-SCREENING AGENT; PROCESS FOR PHOTOSTABILIZING THE DIBENZOYLMETHANE SCREENING AGENT OREAL (FR) 2016-03-03 US disclosed
US-20160058682-A1 COMPOSITION CONTAINING A DIBENZOYLMETHANE SCREENING AGENT AND A HYDROPHILIC OR WATER-SOLUBLE MEROCYANIN UV-SCREENING AGENT; PROCESS FOR PHOTOSTABILIZING THE DIBENZOYLMETHANE SCREENING AGENT OREAL (FR) 2016-03-03 US disclosed
US-9162976-B2 Composition containing a dibenzoylmethane screening agent and a hydrophilic or water-soluble merocyanin uv-screening agent; process for photostabilizing the dibenzoylmethane screening agent L'OREAL (FR) 2015-10-20 US disclosed
US-9162976-B2 Composition containing a dibenzoylmethane screening agent and a hydrophilic or water-soluble merocyanin uv-screening agent; process for photostabilizing the dibenzoylmethane screening agent L'OREAL (FR) 2015-10-20 US disclosed
US-20130058990-A1 COMPOSITION CONTAINING A DIBENZOYLMETHANE SCREENING AGENT AND A HYDROPHILIC OR WATER-SOLUBLE MEROCYANIN UV-SCREENING AGENT; PROCESS FOR PHOTOSTABILIZING THE DIBENZOYLMETHANE SCREENING AGENT L'OREAL (FR) 2013-03-07 US disclosed
US-20130058990-A1 COMPOSITION CONTAINING A DIBENZOYLMETHANE SCREENING AGENT AND A HYDROPHILIC OR WATER-SOLUBLE MEROCYANIN UV-SCREENING AGENT; PROCESS FOR PHOTOSTABILIZING THE DIBENZOYLMETHANE SCREENING AGENT L'OREAL (FR) 2013-03-07 US disclosed
WO-2012119860-A1 COSMETIC COMPOSITION CONTAINING A DIBENZOYLMETHANE DERIVATIVE AND A MONOESTER-MONOAMIDE COMPOUND OF METHYLSUCCINIC ACID; PROCESS FOR PHOTOSTABILIZING A DIBENZOYLMETHANE DERIVATIVE L'OREAL (FR) 2012-09-13 WO disclosed
WO-2011113718-A1 COMPOSITION CONTAINING A DIBENZOYLMETHANE SCREENING AGENT AND A HYDROPHILIC OR WATER-SOLUBLE MEROCYANIN UV-SCREENING AGENT; PROCESS FOR PHOTOSTABILIZING THE DIBENZOYLMETHANE SCREENING AGENT L'OREAL (FR) 2011-09-22 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 (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-20160058682-A1 COMPOSITION CONTAINING A DIBENZOYLMETHANE SCREENING AGENT AND A HYDROPHILIC OR WATER-SOLUBLE MEROCYANIN UV-SCREENING AGENT; PROCESS FOR PHOTOSTABILIZING THE DIBENZOYLMETHANE SCREENING AGENT CRYZ, MSH6, TYR GLO1 410/4885NPSR1 4184/4885ALDH1A1 277/4885
US-20130058990-A1 COMPOSITION CONTAINING A DIBENZOYLMETHANE SCREENING AGENT AND A HYDROPHILIC OR WATER-SOLUBLE MEROCYANIN UV-SCREENING AGENT; PROCESS FOR PHOTOSTABILIZING THE DIBENZOYLMETHANE SCREENING AGENT CRYZ, MSH6, TYR GLO1 348/4885NPSR1 4191/4885ALDH1A1 286/4885

“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.