SCHEMBL533466

SCHEMBL533466

ON=Cc1cc2ccccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.58
RAB9A P51151 3/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 2/20 0.45
MAPK1 P28482 2/20 0.45
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44

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
SCHEMBL16693057 1.00 CYP2A6 (0.58) CYP2A6RAB9AMAPTNPC1MAPK1
SCHEMBL4917815 0.81 CYP2A6 (0.58) CYP2A6RAB9AMAPTNPC1MAPK1
SCHEMBL16684694 0.77 APP (0.48) CYP2A6RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL16684695 0.77 APP (0.48) CYP2A6RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL16693152 0.77 APP (0.48) CYP2A6MAPTHPGDSMN1; SMN2GFER
SCHEMBL16684587 0.77 APP (0.48) CYP2A6MAPTHPGDSMN1; SMN2GFER
SCHEMBL21933161 0.75 HPGD (0.54) RAB9ANPC1HPGDSMN1; SMN2KDM4E
SCHEMBL21409023 0.75 CYP2A6 (0.44) CYP2A6MAPTHPGDSMN1; SMN2GFER
SCHEMBL21409025 0.75 CYP2A6 (0.44) CYP2A6MAPTHPGDSMN1; SMN2GFER
SCHEMBL15095310 0.74 CYP2A6 (0.60) CYP2A6RAB9AMAPTNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115246795-B Isoxazoline compound containing ether structure at 4-phenyl para-position, preparation method thereof and application thereof as insecticidal and bactericidal agent 瑞普(天津)生物药业有限公司 2024-01-02 CN disclosed
CN-115246795-A Isoxazoline compound with 4-phenyl para-position containing ether structure, preparation thereof and application thereof as insecticide and bactericide 瑞普(天津)生物药业有限公司 2022-10-28 CN disclosed
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 CYP2A6 215/4885RAB9A 2549/4885MAPT 4180/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CYP2A6 288/4885RAB9A 2112/4885MAPT 4449/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 CYP2A6 43/4885RAB9A 1700/4885MAPT 3554/4885

“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.