SCHEMBL4415347

SCHEMBL4415347

C=C(CC)C(=O)c1ccc(OCC(=O)O[C@@H](CO)[C@H](O)[C@H](O)CO)c(Cl)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 15/20 0.60
GSTA1 P08263 9/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 2/20 0.60
KMT2A Q03164 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MAPT P10636 2/20 0.60
ABCC3 O15438 1/20 0.60
PLIN1 O60240 1/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
HSPD1 P10809 1/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
HTT P42858 1/20 0.60
RECQL P46063 1/20 0.60
MAP2K6 P52564 1/20 0.60
HSPE1 P61604 1/20 0.60
GSTO1 P78417 1/20 0.60
PLIN5 Q00G26 1/20 0.60

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
SCHEMBL4408419 0.86 GSTP1 (0.60) GSTP1GSTA1MEN1ALDH1A1KMT2A
SCHEMBL4407253 0.83 GSTP1 (0.63) GSTP1GSTA1MEN1ALDH1A1KMT2A
SCHEMBL4411487 0.80 GSTP1 (0.64) GSTP1GSTA1MEN1ALDH1A1KMT2A
SCHEMBL21062153 0.80 GSTP1 (0.70) GSTP1GSTA1MEN1ALDH1A1KMT2A
SCHEMBL21062152 0.80 GSTP1 (0.70) GSTP1GSTA1MEN1ALDH1A1KMT2A
SCHEMBL8907142 0.79 GSTP1 (0.66) GSTP1GSTA1MEN1ALDH1A1KMT2A
SCHEMBL25070638 0.79 GSTP1 (0.65) GSTP1GSTA1MEN1ALDH1A1KMT2A
SCHEMBL7214285 0.79 GSTP1 (0.76) GSTP1GSTA1MEN1ALDH1A1KMT2A
SCHEMBL7214202 0.78 GSTP1 (0.74) GSTP1GSTA1MEN1ALDH1A1KMT2A
SCHEMBL22486549 0.78 GSTP1 (0.67) GSTP1GSTA1MEN1ALDH1A1KMT2A

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-20060135609-A1 Ophthamological drugs DUKE UNIVERSITY (US) 2006-06-22 US claimed
US-10485550-B2 Ophthalmic drug delivery device and methods of use DUKE UNIVERSITY (US) 2019-11-26 US disclosed
US-20150057689-A1 OPHTHALMIC DRUG DELIVERY DEVICE AND METHODS OF USE DUKE UNIVERSITY (US) 2015-02-26 US disclosed
US-8642644-B2 Ophthamological drugs DUKE UNIVERSITY (US) 2014-02-04 US disclosed
US-20090318542-A1 OPHTHAMOLOGICAL DRUGS DUKE UNIVERSITY 2009-12-24 US disclosed
US-20060135609-A1 Ophthamological drugs DUKE UNIVERSITY (US) 2006-06-22 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-20060135609-A1 Ophthamological drugs QDPR, PTGIR, PDE6C GSTP1 819/4885GSTA1 1309/4885MEN1 1946/4885
US-20090318542-A1 OPHTHAMOLOGICAL DRUGS QDPR, PTGIR, PDE6C GSTP1 939/4885GSTA1 1449/4885MEN1 2134/4885

“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.