SCHEMBL223024

SCHEMBL223024

O=[N+]([O-])c1ccc(N2CCC[C@H]2CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
CUL4A Q13619 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
SIRT6 Q8N6T7 2/20 0.45
ADRB1 P08588 1/20 0.45
GBA1 P04062 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
PPARG P37231 1/20 0.42
FFAR1 O14842 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL1092846 1.00 MAPT (0.47) MAPTCUL4AALDH1A1MAPK1SIRT6
SCHEMBL5653005 1.00 MAPT (0.47) MAPTCUL4AALDH1A1MAPK1SIRT6
SCHEMBL3136982 0.96 CUL4A (0.51) MAPTCUL4AALDH1A1SIRT6ADRB1
Methoxymethane SCHEMBL5822675 0.95 MAPT (0.48) MAPTCUL4AALDH1A1MAPK1GBA1
SCHEMBL6095682 0.85 MAPT (0.47) MAPTALDH1A1MAPK1SIRT6ADRB1
SCHEMBL13292851 0.85 KMT2A (0.50) MAPTALDH1A1MAPK1SIRT6HRH3
SCHEMBL6764751 0.83 MAPT (0.40) MAPTALDH1A1MAPK1HRH3PPARG
SCHEMBL12006068 0.83 MAPT (0.49) MAPTALDH1A1MAPK1HRH3
SCHEMBL2886399 0.83 MAPT (0.49) MAPTALDH1A1MAPK1HRH3
SCHEMBL6712874 0.82 MAPT (0.44) MAPTALDH1A1MAPK1SIRT6HRH3

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 302 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018172491-A1 A METHOD FOR CHARACTERIZING OPTICAL PROPERTIES OF A NON-LINEAR IMAGING DEVICE USING HARMONIC GENERATION NANOPROBES ECOLE POLYTECHNIQUE (FR) 2018-09-27 WO claimed
EP-3379318-A1 A METHOD FOR CHARACTERIZING OPTICAL PROPERTIES OF A NON LINEAR IMAGING DEVICE USING HARMONIC GENERATION NANOPROBES Ecole Polytechnique (FR) 2018-09-26 EP claimed
US-9897587-B2 Second harmonic imaging nanoprobes and techniques for use thereof CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-02-20 US claimed
US-20170082596-A1 Second Harmonic Imaging Nanoprobes and Techniques for Use Thereof CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-03-23 US claimed
US-9476830-B2 Second harmonic imaging nanoprobes and techniques for use thereof CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-10-25 US claimed
US-9352055-B2 Functionalization of and use of functionalized second harmonic generating nanoprobes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-05-31 US claimed
US-20160051705-A1 FUNCTIONALIZATION OF AND USE OF FUNCTIONALIZED SECOND HARMONIC GENERATING NANOPROBES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-02-25 US claimed
US-9221919-B2 Functionalization of and use of functionalized second harmonic generating nanoprobes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-12-29 US claimed
US-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-09 US claimed
US-8945471-B2 Multipurpose analysis using second harmonic generating nanoprobes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-02-03 US claimed
WO-2003019282-A2 ENTANGLED-PHOTON MICROSCOPE UT-BATTELLE, LLC (US) 2003-03-06 WO claimed
US-20020041427-A1 Method for producing non-linear optical organic crystal film REVEO, INC. 2002-04-11 US claimed
WO-2002006890-A2 METHOD FOR PRODUCING NON-LINEAR OPTICAL ORGANIC CRYSTAL FILM REVEO, INC. (US) 2002-01-24 WO claimed
US-6004823-A Compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US claimed
EP-0473140-B1 Method of forming thin film on fiber end surface SUMITOMO ELECTRIC INDUSTRIES (JP) 1995-11-15 EP claimed
EP-0390540-B1 Process for preparing an organic compound thin film for an optical device SHARP KK (JP) 1994-08-03 EP claimed
US-5192579-A METHOD OF FORMING THIN FILM ON FIBER END SURFACE BY BREAKING IT IN A VACUUM SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1993-03-09 US claimed
US-5084302-A PROCESS FOR PREPARING AN ORGANIC COMPOUND THIN FILM FOR AN OPTICAL DEVICE SHARP KABUSHIKI KAISHA (JP) 1992-01-28 US claimed
EP-0390540-A2 Process for preparing an organic compound thin film for an optical device SHARP KABUSHIKI KAISHA (JP) 1990-10-03 EP claimed
US-4958895-A Optical waveguides GEC-MARCONI LIMITED (GB) 1990-09-25 US claimed

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-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS AR, SHBG, NR5A1 MAPT 4233/4885CUL4A 3575/4885ALDH1A1 611/4885

“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.