SCHEMBL14017682

SCHEMBL14017682

CCOC(=O)/C(=C/C=C(c1ccccc1)c1ccccc1)C(=O)NC[Si](C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 5/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
DHODH Q02127 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP19A1 P11511 2/20 0.39
STAT1 P42224 1/20 0.38
GLO1 Q04760 1/20 0.38
PLIN1 O60240 1/20 0.38
POLB P06746 1/20 0.38
PLIN5 Q00G26 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
SCHEMBL14156332 0.83 MEN1 (0.60) KMT2AMEN1TSHRATMMAPT
SCHEMBL14017681 0.82 MEN1 (0.50) KMT2AMEN1TSHRATMMAPT
SCHEMBL1576860 0.81 KMT2A (0.40) KMT2AMEN1TSHRATMMAPT
SCHEMBL13515676 0.80 MEN1 (0.57) KMT2AMEN1TSHRATMMAPT
SCHEMBL13515708 0.79 MEN1 (0.42) KMT2AMEN1TSHRATMMAPT
SCHEMBL14135780 0.79 MEN1 (0.55) KMT2AMEN1TSHRATMMAPT
SCHEMBL14486334 0.78 MTNR1A (0.45) KMT2AMEN1MAPTGAATDP1
SCHEMBL14018844 0.76 MEN1 (0.44) KMT2AMEN1TSHRATMMAPT
SCHEMBL14017683 0.76 KMT2A (0.41) KMT2AMEN1TSHRATMMAPT
SCHEMBL14017690 0.73 MCL1 (0.44) KMT2AMEN1MAPTGAAALDH1A1

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-8809331-B2 Aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-19 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KMT2A 2767/4885MEN1 1877/4885TSHR 4721/4885

“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.