SCHEMBL987602

SCHEMBL987602

NC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGD P52209 1/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.36
OR51E2 Q9H255 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
ACHE P22303 1/20 0.33
PDE4A P27815 1/20 0.33
ALOX15 P16050 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL4449219 1.00 PGD (0.37) PGDLMNAALDH1A1OR51E2TDP1
SCHEMBL6686437 1.00 PGD (0.37) PGDLMNAALDH1A1OR51E2TDP1
SCHEMBL18902784 1.00 PGD (0.37) PGDLMNAALDH1A1OR51E2TDP1
SCHEMBL4445885 0.96 PGD (0.36) PGDLMNAALDH1A1OR51E2TDP1
SCHEMBL1000048 0.92 PGD (0.37) PGDLMNAALDH1A1OR51E2TDP1
SCHEMBL5063165 0.87 TSHR (0.50) PGDLMNAALDH1A1TSHRHIF1A
SCHEMBL31134456 0.87 TSHR (0.50) PGDLMNAALDH1A1TSHRHIF1A
SCHEMBL31482274 0.87 TSHR (0.50) PGDLMNAALDH1A1TSHRHIF1A
SCHEMBL22388686 0.87 TSHR (0.50) PGDLMNAALDH1A1TSHRHIF1A
SCHEMBL31028137 0.87 TSHR (0.50) PGDLMNAALDH1A1TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220259-A1 Topical treatment of dermatological disorders associated with reactive or dilated blood vessels YU RUEY J (US) 2004-11-04 US claimed
WO-2004093722-A2 TOPICAL TREATMENT OF DERMATOLOGICAL DISORDERS ASSOCIATED WITH REACTIVE OR DILATED BLOOD VESSELS YU RUEY J (US) 2004-11-04 WO claimed
WO-2015157213-A1 EGFR-TARGETED NANOPARTICLES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-10-15 WO disclosed
WO-2014133549-A1 NANOPARTICLES STABILIZED WITH NITROPHENYLBORONIC ACID COMPOSITIONS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-04 WO disclosed
WO-2011006011-A2 THERANOSTIC POLYCATION BEACONS COMPRISING OLIGOETHYLENEAMINE REPEATING UNITS AND LANTHANIDE CHELATES VIRGINIA TECH INTELLECTUAL PROPERTIES INC. (US) 2011-01-13 WO disclosed
US-20110009478-A1 THERANOSTIC POLYCATION BEACONS COMPRISING OLIGOETHYLENEAMINE REPEATING UNITS AND LANTHANIDE CHELATES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2011-01-13 US disclosed
US-20040220259-A1 Topical treatment of dermatological disorders associated with reactive or dilated blood vessels YU RUEY J (US) 2004-11-04 US disclosed
WO-2004093722-A2 TOPICAL TREATMENT OF DERMATOLOGICAL DISORDERS ASSOCIATED WITH REACTIVE OR DILATED BLOOD VESSELS YU RUEY J (US) 2004-11-04 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-20040220259-A1 Topical treatment of dermatological disorders associated with reactive or dilated blood vessels AKR1C3, ALDOA, AKR1C2 PGD 13/4885LMNA 1780/4885ALDH1A1 83/4885
US-20110009478-A1 THERANOSTIC POLYCATION BEACONS COMPRISING OLIGOETHYLENEAMINE REPEATING UNITS AND LANTHANIDE CHELATES TRDMT1, LGALS3, ELAVL1 PGD 705/4885LMNA 415/4885ALDH1A1 4671/4885

“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.