SCHEMBL533276

SCHEMBL533276

CC(C)c1ccc2c[c]oc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 3/20 0.33
HTT P42858 2/20 0.33
EIF4A3 P38919 1/20 0.33
UGT2B7 P16662 1/20 0.33
ALOX12 P18054 1/20 0.33
HIF1A Q16665 1/20 0.33
PTPN1 P18031 2/20 0.32

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
SCHEMBL533457 0.85 TRPV4 (0.30) KIF11
SCHEMBL5535202 0.85 ALDH1A1 (0.37) LMNATRPA1PTGS1CACNA1CNPC1
SCHEMBL533239 0.81
SCHEMBL208143 0.74 CYP1A2 (0.44) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL533261 0.73 ALDH1A1 (0.42) LMNAPTGS1NPC1RAB9AALDH1A1
SCHEMBL533354 0.73 AR (0.34) LMNAHIF1ASMN1; SMN2
SCHEMBL207069 0.69 CYP1A2 (0.38) RAB9AALDH1A1KDM4EMEN1KMT2A
SCHEMBL17870639 0.69 CA12 (0.44) LMNAPTGS1NPC1RAB9AALDH1A1
SCHEMBL4148062 0.69 ALDH1A1 (0.41) LMNAPTGS1NPC1RAB9AALDH1A1
SCHEMBL207471 0.69 CYP2A6 (0.38) ALDH1A1KDM4EMEN1MAPTKMT2A

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 12 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
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP 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
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (4 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 LMNA 4152/4885TRPA1 3038/4885PTGS1 3838/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 LMNA 2331/4885TRPA1 576/4885PTGS1 45/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 LMNA 2721/4885TRPA1 473/4885PTGS1 61/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 LMNA 807/4885TRPA1 761/4885PTGS1 15/4885

“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.