SCHEMBL3081480

SCHEMBL3081480

O=C(OCc1cc(OCCCO)cc(OCCCO)c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
TDP1 Q9NUW8 3/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
LMNA P02545 3/20 0.49
RAB9A P51151 3/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
JMJD6 Q6NYC1 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42

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
SCHEMBL3087619 0.97 KMT2A (0.54) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6759258 0.88 KMT2A (0.43) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3081596 0.87 KMT2A (0.55) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3088947 0.84 KMT2A (0.51) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3087472 0.83 TDP1 (0.54) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6653550 0.80 KMT2A (0.50) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6759259 0.80 KMT2A (0.37) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL344616 0.78 TDP1 (0.81) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL28779286 0.77 KMT2A (0.71) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6286657 0.77 KMT2A (0.65) KMT2ATDP1SLC6A2SLC6A3LMNA

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-7794795-B2 Antifouling coating comprising sol gel of an octyltrialkoxysilane and a tetraalkoxysilane THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-09-14 US disclosed
US-20080026027-A1 Antifouling coating comprising sol gel of an octyltrialkoxysilane and a tetraalkoxysilane THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-01-31 US disclosed
US-7244295-B2 Dendrimeric organochalcogeno derivative bound to sol gel matrix; inexpensive, environmentally friendly, robust coating; nontoxic; reduced maintenance THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2007-07-17 US disclosed
US-20050013843-A1 Dendrimeric organochalcogeno derivative bound to sol gel matrix; inexpensive, environmentally friendly, robust coating; nontoxic; reduced maintenance RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2005-01-20 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-20080026027-A1 Antifouling coating comprising sol gel of an octyltrialkoxysilane and a tetraalkoxysilane MACO1, SDC2, DSTN KMT2A 4006/4885TDP1 3889/4885SLC6A2 1860/4885

“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.