SCHEMBL4409728

SCHEMBL4409728

OC[C@H](O)[C@@H](O)[C@H](O)C(O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 2/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.37
IDO1 P14902 1/20 0.36
RCE1 Q9Y256 1/20 0.36

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
SCHEMBL4411610 1.00 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL27865431 0.98 TDP1 (0.41) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL9725057 0.95 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL4412609 0.95 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL620072 0.85 TSHR (0.48) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL28088941 0.84 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL4888616 0.82 CA1 (0.47) SLC1A1KMT2ATSHRCA1CA2
SCHEMBL6549684 0.82 CA1 (0.47) SLC1A1KMT2ATSHRCA1CA2
SCHEMBL7150152 0.82 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
Bicarbonate SCHEMBL1988293 0.82 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1812017-A2 OPHTHAMOLOGICAL DRUGS Duke University (US) 2007-08-01 EP disclosed
US-20060135609-A1 Ophthamological drugs DUKE UNIVERSITY (US) 2006-06-22 US disclosed
WO-2006047466-A2 OPHTHAMOLOGICAL DRUGS DUKE UNIVERSITY (US) 2006-05-04 WO 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 SLC1A3 1368/4885SLC1A2 1298/4885SLC1A1 881/4885
US-20090318542-A1 OPHTHAMOLOGICAL DRUGS QDPR, PTGIR, PDE6C SLC1A3 1305/4885SLC1A2 1228/4885SLC1A1 867/4885

“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.