SCHEMBL6017659

SCHEMBL6017659

O=[N+]([O-])c1cc(CCl)ccc1CCl

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
ALDH1A1 P00352 3/20 0.58
SNCA P37840 2/20 0.44
CYP1A2 P05177 1/20 0.41
PDK1 Q15118 1/20 0.41
POLB P06746 2/20 0.40
CXCR4 P61073 1/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL30595359 1.00 TSHR (0.58) TSHRALDH1A1SNCACYP1A2PDK1
SCHEMBL16147602 0.91 TSHR (0.49) TSHRALDH1A1SNCACYP1A2PDK1
SCHEMBL13520160 0.87 ALDH1A1 (0.53) TSHRALDH1A1SNCACYP1A2PDK1
SCHEMBL15380345 0.87 TSHR (0.53) TSHRALDH1A1SNCACYP1A2PDK1
SCHEMBL67686 0.81 ALDH1A1 (0.58) TSHRALDH1A1CYP1A2POLBMAPT
SCHEMBL3136616 0.81 CYP1A2 (0.62) TSHRALDH1A1CYP1A2MAPTMAPK1
SCHEMBL4520586 0.81 VCAM1 (0.53) TSHRALDH1A1POLBMAPK1KDM4E
SCHEMBL14756219 0.79 TSHR (0.56) TSHRALDH1A1SNCACYP1A2PDK1
SCHEMBL4124874 0.79 ALDH1A1 (0.56) TSHRALDH1A1POLBMAPTMAPK1
SCHEMBL20560688 0.79 ALDH1A1 (0.56) TSHRALDH1A1SNCACYP1A2PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432609-B1 MIXTURE OF ACID GENERATOR AND POLYMER; CROSSLINKING NATIONAL SCIENCE COUNCIL (TW) 2002-08-13 US claimed
US-5817430-A POLYARYLENEVINYLENE POLYMER XEROX CORPORATION (US) 1998-10-06 US claimed
US-11976219-B2 Photo-cleavable primer compositions and methods of use ORMCO CORPORATION (US) 2024-05-07 US disclosed
US-20230416460-A1 COMPOUND, RESIN COMPOSITION, RESIN SHEET, RESIN CURED PRODUCT, AND LAMINATED SUBSTRATE TDK CORPORATION (JP) 2023-12-28 US disclosed
US-20230112086-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ORMCO CORPORATION 2023-04-13 US disclosed
WO-2022209495-A1 COMPOUND, RESIN COMPOSITION, RESIN SHEET, RESIN CURED OBJECT, AND LAMINATED SUBSTRATE TDK株式会社 2022-10-06 WO disclosed
US-11453790-B2 Photo-cleavable primer compositions and methods of use ENVISTA (US) 2022-09-27 US disclosed
US-20220185948-A1 EPOXY RESIN, RESIN COMPOSITION, RESIN SHEET, RESIN CURED PRODUCT, RESIN SUBSTRATE AND MULTILAYER SUBSTRATE TDK CORPORATION (JP) 2022-06-16 US disclosed
US-20220185959-A1 COMPOUND, RESIN COMPOSITION AND POLYMERIZATION PRODUCT TDK CORPORATION (JP) 2022-06-16 US disclosed
US-20200347248-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ENVISTA (US) 2020-11-05 US disclosed
US-10689407-B2 Photo-cleavable primer compositions and methods of use ENVISTA (US) 2020-06-23 US disclosed
US-20170217997-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ORMCO CORPORATION 2017-08-03 US disclosed
WO-2017132484-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ACatechol, Inc. (US) 2017-08-03 WO disclosed
US-7029655-B2 Magnetic resonance imaging agents for in vivo labeling and detection of amyloid deposits CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-04-18 US disclosed
WO-2002028441-A9 MAGNETIC RESONANCE IMAGING AGENTS FOR IN VIVO LABELING AND DETECTION OF AMYLOID DEPOSITS CALIFORNIA INST OF TECHN (US) 2003-02-20 WO disclosed
US-6432609-B1 MIXTURE OF ACID GENERATOR AND POLYMER; CROSSLINKING NATIONAL SCIENCE COUNCIL (TW) 2002-08-13 US disclosed
US-20020098153-A1 Magnetic resonance imaging agents for in vivo labeling and detection of amyloid deposits CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-07-25 US disclosed
WO-2002028441-A2 MAGNETIC RESONANCE IMAGING AGENTS FOR IN VIVO LABELING AND DETECTION OF AMYLOID DEPOSITS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-04-11 WO disclosed
US-5876865-A POLYARYLENEVINYLENE RESIN XEROX CORPORATION (US) 1999-03-02 US disclosed
US-5817430-A POLYARYLENEVINYLENE POLYMER XEROX CORPORATION (US) 1998-10-06 US 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-11453790-B2 Photo-cleavable primer compositions and methods of use SP1, GPER1, ESR1 TSHR 3965/4885ALDH1A1 869/4885SNCA 4418/4885
US-20200347248-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, ESR1 TSHR 3965/4885ALDH1A1 869/4885SNCA 4418/4885
US-20230112086-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, ESR1 TSHR 3965/4885ALDH1A1 869/4885SNCA 4418/4885
US-20170217997-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, ESR1 TSHR 3965/4885ALDH1A1 869/4885SNCA 4418/4885
US-10689407-B2 Photo-cleavable primer compositions and methods of use SP1, GPER1, ESR1 TSHR 3965/4885ALDH1A1 869/4885SNCA 4418/4885
US-11976219-B2 Photo-cleavable primer compositions and methods of use SP1, GPER1, ESR1 TSHR 3965/4885ALDH1A1 869/4885SNCA 4418/4885

“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.