SCHEMBL12294786

SCHEMBL12294786

CN1CCO/C1=C/C=C(/C#N)C(=O)OCCS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.38
▸ MEN1 O00255 6/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ GAA P10253 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ USP2 O75604 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ ALDH1A1 P00352 5/20 0.36
▸ LMNA P02545 3/20 0.36
▸ POLB P06746 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ TP53 P04637 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL12296082 0.83 — —
SCHEMBL12295005 0.68 CYP2C9 (0.42) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL19240047 0.68 THRB (0.37) GAAALDH1A1THRBHTT
SCHEMBL2372095 0.66 CYP2C9 (0.38) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL2372089 0.66 CYP2C9 (0.38) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL14752492 0.65 MAPT (0.46) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL14156466 0.65 MAOB (0.38) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL14738299 0.65 CYP2C9 (0.37) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL12758189 0.64 MAPT (0.48) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL17445954 0.64 MAPT (0.55) MAPTMEN1KMT2ARAB9AGAA

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 MAPT 923/4885MEN1 754/4885KMT2A 3473/4885
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 MAPT 840/4885MEN1 832/4885KMT2A 3482/4885

“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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