SCHEMBL12526176

SCHEMBL12526176

N#C/C(=C\C=C\N1CCN(/C=C/C=C(\C#N)C(=O)OCCCO)CC1)C(=O)OCCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ MAOB P27338 2/20 0.36
▸ GAA P10253 4/20 0.33
▸ MAPT P10636 5/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ USP2 O75604 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ RECQL P46063 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
SCHEMBL23177612 0.82 ALDH1A1 (0.42) DNM1ALDH1A1GAAMAPTMEN1
SCHEMBL12292355 0.81 MAPT (0.42) DNM1ALDH1A1GAAMAPTMEN1
SCHEMBL12260843 0.81 MAPT (0.42) DNM1ALDH1A1GAAMAPTMEN1
SCHEMBL9889261 0.81 MAPT (0.42) DNM1ALDH1A1GAAMAPTMEN1
SCHEMBL13485628 0.80 MAOB (0.34) DNM1ALDH1A1MAOBGAAMAPT
SCHEMBL12758234 0.78 ALDH1A1 (0.48) DNM1ALDH1A1GAAMAPTMEN1
SCHEMBL12294365 0.77 MAPT (0.39) DNM1ALDH1A1MAOBGAAMAPT
SCHEMBL15761697 0.76 ALDH1A1 (0.40) ALDH1A1MAOBGAAMAPTMEN1
SCHEMBL14654938 0.76 ALDH1A1 (0.45) ALDH1A1MAOBGAAMAPTMEN1
SCHEMBL12293115 0.76 CYP2C9 (0.44) DNM1ALDH1A1MAOBGAAMAPT

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 7 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

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 DNM1 2301/4885ALDH1A1 277/4885MAOB 776/4885
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 DNM1 2407/4885ALDH1A1 286/4885MAOB 799/4885

“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.

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