SCHEMBL533489

SCHEMBL533489

CC(C)(C)c1cccc(-c2cc[c]cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.61
RXRA P19793 2/20 0.54
RXRB P28702 2/20 0.54
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ACHE P22303 3/20 0.37
PTPN1 P18031 3/20 0.37
PTPN5 P54829 2/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
DHODH Q02127 1/20 0.36
ASIC1 P78348 1/20 0.36
SERPINE1 P05121 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL27659191 0.87 KIF11 (0.76) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL30023786 0.85 KIF11 (0.72) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL5547288 0.85 KIF11 (0.72) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL779683 0.83 KIF11 (0.70) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL27926470 0.81 RXRB (0.50) KIF11RXRARXRB
SCHEMBL25693197 0.81 KIF11 (0.68) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL17105790 0.81 KIF11 (0.68) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL2257639 0.81 KIF11 (0.53) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL25706667 0.81 KIF11 (0.67) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL142774 0.80 MAOB (0.51) KIF11CTSSPTPN1PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112500466-B Peptidomimetic macrocycles 艾瑞朗医疗公司 2022-05-03 CN disclosed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
CN-103781752-A Method for producing alpha-hydroxy ketone compound SUMITOMO CHEMICAL CO 2014-05-07 CN 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
US-7829566-B2 Such as (7-chloro-2-styryl-quinazolin-4-yl)-(3-imidazol-1-yl-propyl)-amine; glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents MEDERSKI WERNER 2010-11-09 US disclosed
US-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 US disclosed
US-20070293667-A1 4-Amino-quinazolines MEDERSKI WERNER 2007-12-20 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2004030671-A2 USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
WO-2004030672-A1 USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
US-20040044204-A1 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-04 US disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO 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 (6 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-20040044204-A1 4-amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 KIF11 4124/4885RXRA 901/4885RXRB 1107/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 KIF11 3619/4885RXRA 572/4885RXRB 1016/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 KIF11 3705/4885RXRA 621/4885RXRB 1008/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 KIF11 2467/4885RXRA 886/4885RXRB 919/4885
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 KIF11 4255/4885RXRA 801/4885RXRB 1253/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 KIF11 4321/4885RXRA 904/4885RXRB 1198/4885

“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.