SCHEMBL1576862

SCHEMBL1576862

CCC(C=C(c1ccccc1)c1ccccc1)=C(C(=O)O)C(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
PTAFR P25105 1/20 0.35
NAAA Q02083 1/20 0.34
RECQL P46063 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 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
SCHEMBL2409914 0.78 PTAFR (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2409916 0.78 PTAFR (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1576860 0.74 KMT2A (0.40) TDP1SMN1; SMN2MAPTTSHR
SCHEMBL4582261 0.74 NAAA (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2806467 0.73 LMNA (0.40) RECQLPOLBTDP1CYP2C19CYP3A4
SCHEMBL2806471 0.73 LMNA (0.40) RECQLPOLBTDP1CYP2C19CYP3A4
SCHEMBL1576555 0.71 LMNA (0.37) RECQLPOLBTDP1CYP2C19CYP3A4
SCHEMBL12496025 0.71 LMNA (0.37) RECQLPOLBTDP1CYP2C19CYP3A4
Malonic Acid SCHEMBL2415013 0.71 LMNA (0.39) RECQLPOLBTDP1CYP2C19CYP3A4
SCHEMBL4582468 0.65 LMNA (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9364690-B2 Composition comprising a superabsorbent polymer and a gemini surfactant L'OREAL (FR) 2016-06-14 US disclosed
US-20160067160-A1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME OREAL (FR) 2016-03-10 US disclosed
US-20150224046-A1 COMPOSITION CONTAINING A SUPERABSORBENT POLYMER AND AN ORGANIC UV SCREENING AGENT L'OREAL (FR) 2015-08-13 US disclosed
US-20130039963-A1 COMPOSITION COMPRISING A SUPERABSORBENT POLYMER AND A GEMINI SURFACTANT L'OREAL (FR) 2013-02-14 US disclosed
WO-2011038776-A1 USE OF PIPERIDINE ESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS COMPRISING IT L'OREAL (FR) 2011-04-07 WO disclosed
WO-2011038778-A1 USE OF CAPROLACTAM DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS COMPRISING IT L'OREAL (FR) 2011-04-07 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 (3 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-20150224046-A1 COMPOSITION CONTAINING A SUPERABSORBENT POLYMER AND AN ORGANIC UV SCREENING AGENT KRT18, FABP2, FABP4 HDAC3 3553/4885HDAC4 2466/4885HDAC1 1965/4885
US-20160067160-A1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME DIMT1, FADS2, SCD HDAC3 1971/4885HDAC4 2507/4885HDAC1 1489/4885
US-20130039963-A1 COMPOSITION COMPRISING A SUPERABSORBENT POLYMER AND A GEMINI SURFACTANT SGMS2, SGMS1, SCO2 HDAC3 916/4885HDAC4 2847/4885HDAC1 1539/4885

“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.