SCHEMBL4186836

SCHEMBL4186836

OC(OCl)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CA1 P00915 4/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA7 P43166 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL6774653 0.78 TSHR (0.52) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL24769797 0.78 SLC1A3 (0.43) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
Bromide SCHEMBL29142495 0.78 RCE1 (0.49) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
Bromide SCHEMBL29032034 0.76 CA1 (0.50) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL18697922 0.75 RCE1 (0.43) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL18133061 0.74 RCE1 (0.49) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL620072 0.74 TSHR (0.48) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL23735671 0.74 SLC1A1 (0.56) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL51132 0.74 RCE1 (0.49) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL29172647 0.74 CA1 (0.48) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539251-A4 COMPOSITIONS AND METHODS FOR DIAGNOSIS AND THERAPY OF MEDICAL CONDITIONS INVOLVING ANGIOGENESIS GLYCOMIMETICS INC (US) 2009-02-25 EP disclosed
EP-1685145-A2 GLYCOMIMETIC ANTAGONISTS FOR BOTH E- AND P-SELECTINS GlycoMimetics, Inc. (US) 2006-08-02 EP disclosed
EP-1575619-A1 OLIGOSACCHARIDES AND CONJUGATES THEREOF FOR THE TREATEMENT OF PSEUDOMONAS BACTERIA INFECTION Glycomimetics, Inc. (US) 2005-09-21 EP disclosed
US-20050187171-A1 Glycomimetic antagonists for both E-and P-selectins GLYCOMIMETICS, INC. (US) 2005-08-25 US disclosed
WO-2005054264-A2 GLYCOMIMETIC ANTAGONISTS FOR BOTH E- AND P-SELECTINS GLYCOMIMETICS, INC. (US) 2005-06-16 WO disclosed
EP-1539251-A2 COMPOSITIONS AND METHODS FOR DIAGNOSIS AND THERAPY OF MEDICAL CONDITIONS INVOLVING ANGIOGENESIS Glycomimetics, Inc. (US) 2005-06-15 EP disclosed
US-20040219158-A1 Compositions and methods for diagnosis and therapy of medical conditions involving infection with pseudomonas bacteria GLYCOMIMETICS, INC. 2004-11-04 US disclosed
WO-2004058304-A1 OLIGOSACCHARIDES AND CONJUGATES THEREOF FOR THE TREATEMENT OF PSEUDOMONAS BACTERIA INFECTION GLYCOMIMETICS, INC. (US) 2004-07-15 WO disclosed
US-20040096396-A1 Compositions and methods for diagnosis and therapy of medical conditions involving angiogenesis GLYCOMIMETICS, INC. (US) 2004-05-20 US disclosed
WO-2004004636-A2 COMPOSITIONS AND METHODS FOR DIAGNOSIS AND THERAPY OF MEDICAL CONDITIONS INVOLVING ANGIOGENESIS GLYCOMIMETICS, INC. (US) 2004-01-15 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-20040219158-A1 Compositions and methods for diagnosis and therapy of medical conditions involving infection with pseudomonas bacteria CFTR, CFB, SERPINB1 ALDH1A1 3669/4885SLC1A3 4639/4885SLC1A2 4618/4885
US-20050187171-A1 Glycomimetic antagonists for both E-and P-selectins SELE, SELP, SELPLG ALDH1A1 1143/4885SLC1A3 678/4885SLC1A2 666/4885

“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.