SCHEMBL4853261

SCHEMBL4853261

O=C(O)C(=CCC(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TP53 P04637 1/20 0.38
HTR2A P28223 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
EPHX2 P34913 1/20 0.38
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38

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
SCHEMBL491755 0.80 AKR1C3 (0.47) CYP2C19CYP2D6SRCLMNAMTNR1A
SCHEMBL4423829 0.76 CYP2C19 (0.42) CYP2C19LMNA
SCHEMBL6053632 0.74 LMNA (0.41) CYP2C19CYP2D6SRCLMNAHTR2A
SCHEMBL10991394 0.72 HTR2A (0.40) CYP2C19CYP2D6LMNAMAPK1HTR2A
SCHEMBL3144362 0.71 HCAR2 (0.44) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL7238650 0.71 HCAR2 (0.44) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL8669010 0.71 CYP2C19 (0.44) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL7239259 0.71 HCAR2 (0.44) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL68782 0.70 HTR2A (0.46) CYP2C19CYP2D6SRCHTR2ATAAR1
SCHEMBL5381347 0.70 CYP2D6 (0.44) CYP2C19CYP2D6SRCLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432386-B2 Diarylbutadiene-substituted methyltrialkylsilanes and photoprotective compositions comprised thereof L'OREAL (FR) 2008-10-07 US disclosed
US-20070213547-A1 For UV-photoprotecting human skin against the damaging effects of UV-radiation, notably UV-A radiation; example: monotrimethylsilanylmethyl monoethyl diester of (3,3-diphenyl-2-propylidene)propanedioic acid; good resistance to water and to perspiration L'OREAL 2007-09-13 US disclosed
US-7229609-B2 Diarylbutadiene-substituted methyltrialkylsilanes and photoprotective compositions comprised thereof L'OREAL (FR) 2007-06-12 US disclosed
US-20050201957-A1 Diarylbutadiene-substituted methyltrialkylsilanes and photoprotective compositions comprised thereof L'OREAL (FR) 2005-09-15 US 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-20070213547-A1 For UV-photoprotecting human skin against the damaging effects of UV-radiation, notably UV-A radiation; example: monotrimethylsilanylmethyl monoethyl diester of (3,3-diphenyl-2-propylidene)propanedioic acid; good resistance to water and to perspiration CUTA, DDB1, DCLRE1A CYP2C19 1207/4885CYP2D6 602/4885SRC 4203/4885
US-20050201957-A1 Diarylbutadiene-substituted methyltrialkylsilanes and photoprotective compositions comprised thereof MGMT, DDB1, ERCC1 CYP2C19 559/4885CYP2D6 806/4885SRC 1245/4885

“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.