SCHEMBL533224

SCHEMBL533224

CC(C)(C)Oc1ccc2c[c]oc2c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.37
KIF11 P52732 1/20 0.35
ABL1 P00519 1/20 0.33
RIPK1 Q13546 1/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA9 Q16790 3/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA3 P07451 1/20 0.31
AKR1B1 P15121 1/20 0.31
HPGD P15428 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL533218 0.84 SRD5A1 (0.32) SRD5A1
SCHEMBL534223 0.83 PIM1 (0.41) KIF11KDM4EHSD17B10
SCHEMBL533148 0.80 ALDH1A1 (0.49) CA12CA1CA9KDM4EALDH1A1
SCHEMBL533261 0.76 ALDH1A1 (0.42) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL533344 0.76 CA12 (0.53) CA12CA1CA9KDM4EALDH1A1
SCHEMBL533485 0.76 ALOX15 (0.34) ABL1KDM4EALDH1A1HPGD
SCHEMBL3820319 0.74 KIF11 (0.47) SRD5A1KIF11ABL1RIPK1CA12
SCHEMBL534277 0.73 CA12 (0.55) CA12CA1CA9KDM4EALDH1A1
SCHEMBL533400 0.73 ALDH1A1 (0.36) KIF11KDM4EALDH1A1HPGDHSD17B10
SCHEMBL534162 0.72 KDM4E (0.30) KDM4EALDH1A1

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 SRD5A1 2044/4885KIF11 3619/4885ABL1 2803/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 SRD5A1 2319/4885KIF11 3705/4885ABL1 3139/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 SRD5A1 1402/4885KIF11 2467/4885ABL1 2982/4885

“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.