SCHEMBL12294468

SCHEMBL12294468

CCN(/C=C/C=C(/C#N)C(=O)OCCCOC(=O)/C(C#N)=C/C=C/N(CC)CCO)CCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.38
▸ DNM1 Q05193 3/20 0.36
▸ TP53 P04637 2/20 0.34
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ MEN1 O00255 5/20 0.33
▸ MAPT P10636 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ GAA P10253 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ NPSR1 Q6W5P4 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ USP2 O75604 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ LMNA P02545 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 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
SCHEMBL12294377 0.93 CYP2C9 (0.33) CYP2C9DNM1TP53FNTAFNTB
SCHEMBL23583823 0.93 CYP2C9 (0.38) CYP2C9DNM1TP53FNTAFNTB
SCHEMBL12294382 0.93 CYP2C9 (0.38) CYP2C9DNM1TP53FNTAFNTB
SCHEMBL12294364 0.93 CYP2C9 (0.38) CYP2C9DNM1TP53FNTAFNTB
SCHEMBL12294817 0.92 DNM1 (0.39) CYP2C9DNM1TP53FNTAFNTB
SCHEMBL12292845 0.90 TP53 (0.41) CYP2C9DNM1TP53FNTAFNTB
SCHEMBL12294389 0.89 TP53 (0.38) CYP2C9DNM1TP53FNTAFNTB
SCHEMBL17137894 0.88 CYP2C9 (0.39) CYP2C9DNM1TP53MEN1MAPT
SCHEMBL12292363 0.88 CYP2C9 (0.39) CYP2C9DNM1TP53MEN1MAPT
SCHEMBL17137895 0.88 CYP2C9 (0.39) CYP2C9DNM1TP53MEN1MAPT

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 CYP2C9 1373/4885DNM1 2301/4885TP53 12/4885
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 CYP2C9 1432/4885DNM1 2407/4885TP53 12/4885

“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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