SCHEMBL533261

SCHEMBL533261

CC(C)Oc1ccc2c[c]oc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 7/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 3/20 0.42
GAA P10253 3/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 3/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 3/20 0.37
NPC1 O15118 2/20 0.37
HTT P42858 2/20 0.37
RAB9A P51151 2/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL533485 0.83 ALOX15 (0.34) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL534162 0.83 KDM4E (0.30) ALDH1A1KDM4E
SCHEMBL533148 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL533224 0.76 SRD5A1 (0.37) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL533344 0.76 CA12 (0.53) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL22325682 0.74 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL29629324 0.74 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL533218 0.74 SRD5A1 (0.32)
SCHEMBL534277 0.73 CA12 (0.55) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL533276 0.73 LMNA (0.35) ALDH1A1KDM4EHSD17B10GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP 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 (3 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-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 ALDH1A1 204/4885KDM4E 2779/4885HPGD 261/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 ALDH1A1 256/4885KDM4E 2804/4885HPGD 313/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 ALDH1A1 377/4885KDM4E 3706/4885HPGD 234/4885

“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.