Sugi Predict

Sugi Predict / Compounds / SCHEMBL9322101

SCHEMBL9322101

SCHEMBL9322101

C=C(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.67
▸ CES1 P23141 2/20 0.59
▸ ACHE P22303 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ CA1 P00915 2/20 0.57
▸ CA2 P00918 2/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ TSHR P16473 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ ESR1 P03372 1/20 0.53
▸ CYP19A1 P11511 1/20 0.53
▸ ESR2 Q92731 1/20 0.53
▸ CES2 O00748 1/20 0.52
▸ SRD5A2 P31213 1/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51

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
Dimethylamine SCHEMBL9015463 0.94 MAPK1 (0.60) MAPK1CES1ACHEHSD17B10CA1
SCHEMBL10628045 0.89 SRD5A2 (0.59) MAPK1CES1ACHEHSD17B10CA1
SCHEMBL21871 0.82 MAPK1 (0.72) MAPK1CES1ACHEHSD17B10CA1
SCHEMBL1398000 0.82 CES1 (0.64) MAPK1CES1ACHEHSD17B10CA1
SCHEMBL10940236 0.82 CES1 (0.64) MAPK1CES1ACHEHSD17B10CA1
SCHEMBL10861088 0.82 MAPK1 (0.72) MAPK1CES1ACHEHSD17B10CA1
SCHEMBL8726612 0.80 MAPK1 (0.69) MAPK1CES1ACHEHSD17B10CA1
SCHEMBL27765 0.80 MAPK1 (1.00) MAPK1CES1CA1CA2TDP1
SCHEMBL16925496 0.80 TDP1 (0.65) MAPK1CES1CA1CA2TDP1
SCHEMBL9322098 0.80 TSHR (0.63) MAPK1CES1ACHEHSD17B10CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620791-B Method for preparing carbonyl compound by catalyzing oxidative cleavage of olefin compound through visible light excited aqueous solution quantum dots 大连理工大学 2022-10-14 — — CN claimed
CN-112409187-B Synthesis method of 6-amino-1- (4-aminophenyl) -1,3,3-trimethylindane 山东华夏神舟新材料有限公司 2022-09-02 — — CN claimed
CN-112409187-A Synthesis method of 6-amino-1- (4-aminophenyl) -1,3,3-trimethylindane 山东华夏神舟新材料有限公司 2021-02-26 — — CN claimed
US-5320902-A Suitable for use in ink jet printing XEROX CORPORATION (US) 1994-06-14 — — US claimed
CN-113061069-B Oxidative cleavage of compounds containing unsaturated double bonds 陈建添 2024-02-06 — — CN disclosed
US-RE49687-E1 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-10 — — US disclosed
US-RE49687-E1 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-10 — — US disclosed
CN-113620791-B Method for preparing carbonyl compound by catalyzing oxidative cleavage of olefin compound through visible light excited aqueous solution quantum dots 大连理工大学 2022-10-14 — — CN disclosed
CN-112409187-B Synthesis method of 6-amino-1- (4-aminophenyl) -1,3,3-trimethylindane 山东华夏神舟新材料有限公司 2022-09-02 — — CN disclosed
US-11407692-B2 Method for oxidative cleavage of compounds with unsaturated double bond NATIONAL TSING HUA UNIVERSITY (TW) 2022-08-09 — — US disclosed
US-11407692-B2 Method for oxidative cleavage of compounds with unsaturated double bond NATIONAL TSING HUA UNIVERSITY (TW) 2022-08-09 — — US disclosed
CN-108774206-B Preparation method of compound containing isochroman-1-ketone skeleton 山西大学 2021-11-19 — — CN disclosed
US-20170247391-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF WELLSPRING BIOSCIENCES LLC 2017-08-31 — — US disclosed
US-20170247391-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF WELLSPRING BIOSCIENCES LLC 2017-08-31 — — US disclosed
WO-2016040330-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-03-17 — — WO disclosed
EP-2457655-A2 Catalyst for asymmetric hydrogenation comprising peptides and method for manufacturing optically active carbonyl compound using the same Takasago International Corporation (JP) 2012-05-30 — — EP disclosed
WO-2007002931-A2 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-04 — — WO disclosed
EP-0350069-B1 METHOD FOR OXIDIZING UNSATURATED AROMATIC COMPOUNDS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1993-03-17 — — EP disclosed
US-4967009-A REACTING UNSATURATED AROMATIC COMPOUNDS WITH AROMATIC IODOSYL COMPOUNDS TO YIELD AROMATIC ALDEHYDES OR KETONES NIPPON PETROCHEMICALS CO., LTD. (JP) 1990-10-30 — — US disclosed
EP-0350069-A2 Method for oxidizing unsaturated aromatic compounds NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-01-10 — — 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 (2 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-20170247391-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MEN1, TERF2IP MAPK1 485/4885CES1 4147/4885ACHE 4848/4885
US-11407692-B2 Method for oxidative cleavage of compounds with unsaturated double bond ALOX12, ALOX15, DUOX1 MAPK1 2192/4885CES1 951/4885ACHE 2199/4885

“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.