SCHEMBL534277

SCHEMBL534277

CCCOc1ccc2c[c]oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.55
CA1 P00915 5/20 0.55
CA9 Q16790 5/20 0.55
CA6 P23280 3/20 0.55
CA7 P43166 3/20 0.55
CA14 Q9ULX7 3/20 0.55
CA5B Q9Y2D0 3/20 0.55
CA2 P00918 2/20 0.55
CA5A P35218 2/20 0.55
CA4 P22748 2/20 0.48
CA3 P07451 1/20 0.48
MAPT P10636 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
MAPK1 P28482 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL533344 0.87 CA12 (0.53) CA12CA1CA9CA6CA7
SCHEMBL29919643 0.77 CA12 (0.56) CA12CA1CA9CA6CA7
SCHEMBL23458236 0.77 CA12 (0.56) CA12CA1CA9CA6CA7
SCHEMBL22325684 0.76 CA12 (0.59) CA12CA1CA9CA6CA7
SCHEMBL5540550 0.73 CYP1A2 (0.45) CA12CA1CA9CA6CA7
SCHEMBL3794160 0.73 CA12 (0.62) CA12CA1CA9CA6CA7
SCHEMBL533261 0.73 ALDH1A1 (0.42) CA12CA9MAPTKDM4EALDH1A1
SCHEMBL15772419 0.73 CA12 (0.56) CA12CA1CA9CA6CA7
SCHEMBL19583361 0.71 CA12 (0.54) CA12CA1CA9CA6CA7
SCHEMBL11672339 0.71 CA12 (0.54) CA12CA1CA9CA6CA7

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 CA12 2475/4885CA1 2988/4885CA9 2107/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CA12 2441/4885CA1 3053/4885CA9 2125/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 CA12 1434/4885CA1 1757/4885CA9 639/4885

“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.