SCHEMBL3087472

SCHEMBL3087472

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
KMT2A Q03164 3/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
LMNA P02545 3/20 0.47
RAB9A P51151 3/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.41
JMJD6 Q6NYC1 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
PDE7A Q13946 2/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL3091260 0.88 TDP1 (0.53) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL3081480 0.83 KMT2A (0.57) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL3087619 0.81 KMT2A (0.54) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL344616 0.76 TDP1 (0.81) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL6759258 0.75 KMT2A (0.43) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL3680181 0.74 NPC1 (0.47) LMNARAB9ANPC1ALDH1A1MAPT
SCHEMBL794412 0.73 KMT2A (0.62) TDP1KMT2ASLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL5499617 0.73 TDP1 (0.72) TDP1KMT2ASLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL901058 0.72 KMT2A (1.00) TDP1KMT2ASLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL3038 0.72 KMT2A (1.00) TDP1KMT2ASLC6A2SLC6A3LMNA

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 TDP1 3889/4885KMT2A 4006/4885SLC6A2 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.