SCHEMBL533747

SCHEMBL533747

CCCc1cccc(-c2cc[c]cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.47
CTSK P43235 3/20 0.47
PRMT6 Q96LA8 1/20 0.41
BCL2 P10415 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
AGXT P21549 1/20 0.38
MMP3 P08254 1/20 0.38
BACE1 P56817 1/20 0.38
PRKCI P41743 1/20 0.37
HTR7 P34969 2/20 0.37
PTGS2 P35354 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL24005570 0.88 CTSS (0.50) CTSSCTSKPRMT6BCL2MCL1
SCHEMBL7145878 0.88 LPL (0.49)
SCHEMBL30777855 0.86 CTSS (0.51) CTSSCTSKPRMT6BCL2AGXT
SCHEMBL196298 0.86 CTSS (0.51) CTSSCTSKPRMT6BCL2AGXT
SCHEMBL533143 0.85 BCL2 (0.54) CTSSCTSKPRMT6BCL2AGXT
SCHEMBL4533749 0.84 AGXT (0.52) CTSSCTSKBCL2AGXTBACE1
SCHEMBL10078136 0.82 AGXT (0.50) CTSSCTSKBCL2MCL1AGXT
SCHEMBL15238584 0.82 MCL1 (0.49) CTSSCTSKBCL2MCL1BACE1
SCHEMBL2251007 0.82 CTSS (0.44) CTSSCTSKPRMT6BCL2BACE1
SCHEMBL3836772 0.81 AGXT (0.48) CTSSCTSKBCL2AGXTBACE1

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 11 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-9062246-B2 Fluorescent compound, making method, and fluorescent resin composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-06-23 US disclosed
EP-2626400-B1 Fluorescent compound, making method, and fluorescent resin composition SHINETSU CHEMICAL CO (JP) 2014-10-08 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-20130207041-A1 FLUORESCENT COMPOUND, MAKING METHOD, AND FLUORESCENT RESIN COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-08-15 US disclosed
EP-2626400-A1 Fluorescent compound, making method, and fluorescent resin composition Shin-Etsu Chemical Co., Ltd. (JP) 2013-08-14 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

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 CTSS 2800/4885CTSK 3081/4885PRMT6 3012/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CTSS 2593/4885CTSK 2885/4885PRMT6 2668/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 CTSS 1945/4885CTSK 2572/4885PRMT6 2921/4885

“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.