SCHEMBL537527

SCHEMBL537527

N#CCCCn1cccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 3/20 0.33
CSNK2A1 P68400 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.30

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
SCHEMBL536616 0.93 MAPT (0.45) CA2CA9CA12CA1MAPT
SCHEMBL536329 0.91 MAPT (0.43) CA2CA9CA12CA1MAPT
SCHEMBL537352 0.91 MAPT (0.43) CA2CA9CA12CA1MAPT
SCHEMBL536224 0.84
SCHEMBL1308354 0.75 TP53 (0.36) TP53
SCHEMBL691481 0.74 TP53 (0.48) MAPTTSHRTP53ALDH1A1POLB
SCHEMBL20465806 0.74 TP53 (0.48) MAPTTSHRTP53ALDH1A1POLB
SCHEMBL27458343 0.72 TP53 (0.46) MAPTTP53ALDH1A1POLB
SCHEMBL6126482 0.72 TSHR (0.40) CA2CA9MAPTTSHRCSNK2A1
SCHEMBL5858630 0.72 TBXAS1 (0.63)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101973951-A Chiral D-oxazoline and application thereof MEI LUO 2011-02-16 CN claimed
CN-101279954-A Chiral oxazoline and synthetic method thereof UNIV HEFEI TECHNOLOGY (CN) 2008-10-08 CN claimed
EP-2414432-B1 AMINE-TERMINATED TELECHELIC POLYMERS AND PRECURSORS THERETO AND METHODS FOR THEIR PREPARATION CHEVRON ORONITE CO (US) 2017-05-31 EP disclosed
US-9315595-B2 Amine-terminated telechelic polymers and precursors thereto and methods for their preparation CHEVRON ORONITE COMPANY LLC (US) 2016-04-19 US disclosed
US-20140031497-A1 AMINE-TERMINATED TELECHELIC POLYMERS AND PRECURSORS THERETO AND METHODS FOR THEIR PREPARATION THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2014-01-30 US disclosed
US-8552122-B2 Amine-terminated telechelic polymers and precursors thereto and methods for their preparation THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2013-10-08 US disclosed
CN-101973951-B Chiral D-oxazoline and application thereof MEI LUO 2012-10-31 CN disclosed
CN-101973951-B Chiral D-oxazoline and application thereof MEI LUO 2012-10-31 CN disclosed
EP-2414432-A2 AMINE-TERMINATED TELECHELIC POLYMERS AND PRECURSORS THERETO AND METHODS FOR THEIR PREPARATION Chevron Oronite Company LLC (US) 2012-02-08 EP disclosed
WO-2011028685-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-D]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-03-10 WO disclosed
CN-101973951-A Chiral D-oxazoline and application thereof MEI LUO 2011-02-16 CN disclosed
CN-101973951-A Chiral D-oxazoline and application thereof MEI LUO 2011-02-16 CN disclosed
WO-2010117619-A2 AMINE-TERMINATED TELECHELIC POLYMERS AND PRECURSORS THERETO AND METHODS FOR THEIR PREPARATION CHEVRON ORONITE COMPANY LLC (US) 2010-10-14 WO disclosed
US-20100249001-A1 AMINE-TERMINATED TELECHELIC POLYMERS AND PRECURSORS THERETO AND METHODS FOR THEIR PREPARATION UNIVERSITY OF SOUTHERN MISSISSIPPI 2010-09-30 US disclosed
CN-101613350-A A kind of chipal compounds and synthetic method thereof UNIV HEFEI TECHNOLOGY 2009-12-30 CN disclosed
CN-101279954-A Chiral oxazoline and synthetic method thereof UNIV HEFEI TECHNOLOGY (CN) 2008-10-08 CN disclosed
CN-101279954-A Chiral oxazoline and synthetic method thereof UNIV HEFEI TECHNOLOGY (CN) 2008-10-08 CN 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 (1 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-20100249001-A1 AMINE-TERMINATED TELECHELIC POLYMERS AND PRECURSORS THERETO AND METHODS FOR THEIR PREPARATION TERT, TELO2, TSPO CA2 3021/4885CA9 2991/4885CA12 3952/4885

“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.