SCHEMBL21239

SCHEMBL21239

CC(CO[C]=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
CYP1A2 P05177 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.37
MAPT P10636 2/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CASR P41180 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 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
SCHEMBL299909 0.83 ALDH1A1 (0.54) ALDH1A1CYP1A2TSHRSMN1; SMN2TDP1
SCHEMBL2958270 0.83 APP (0.39) ALDH1A1CYP1A2TSHRTDP1LMNA
SCHEMBL7873069 0.82 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRSMN1; SMN2TDP1
SCHEMBL994480 0.81 ALDH1A1 (0.49) ALDH1A1CYP1A2TSHRSMN1; SMN2TDP1
SCHEMBL299908 0.81 ALDH1A1 (0.53) ALDH1A1CYP1A2TSHRSMN1; SMN2TDP1
SCHEMBL7592119 0.81 ALDH1A1 (0.35) ALDH1A1CYP1A2TSHRSMN1; SMN2NPC1
SCHEMBL7555813 0.80 TSHR (0.44) ALDH1A1TSHRSMN1; SMN2TDP1LMNA
SCHEMBL12932112 0.80 ALDH1A1 (0.48) ALDH1A1CYP1A2TSHRSMN1; SMN2TDP1
SCHEMBL21240 0.79 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRSMN1; SMN2TDP1
SCHEMBL291947 0.79 ALDH1A1 (0.57) ALDH1A1CYP1A2TSHRSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024110477-A2 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-05-30 WO claimed
US-20240042101-A1 PHOTOPATTERNED BIOMOLECULE IMMOBILIZATION TO GUIDE 3D CELL FATE IN NATURAL PROTEIN-BASED HYDROGELS UNIVERSITY OF WASHINGTON (US) 2024-02-08 US claimed
US-20230092024-A1 Increasing Efficiency Of Photochemical Reactions On Substrates CENTRILLION TECHNOLOGIES, INC. 2023-03-23 US claimed
EP-4140988-A1 L-VALINATE OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF Merck Serono S.A. (CH) 2023-03-01 EP claimed
EP-4107782-A1 MICROARRAYS Polymer Forge, Inc. (US) 2022-12-28 EP claimed
WO-2022140269-A1 PHOTOPATTERNED BIOMOLECULE IMMOBILIZATION TO GUIDE 3D CELL FATE IN NATURAL PROTEIN-BASED HYDROGELS UNIVERSITY OF WASHINGTON (US) 2022-06-30 WO claimed
US-10287313-B2 RNA monomers containing 0-acetal levulinyl ester groups and their use in RNA microarrays THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-05-14 US claimed
EP-2748176-B1 IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIV (CA) 2019-04-17 EP claimed
EP-3400217-A1 L-VALINATE OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF Merck Serono S.A. (CH) 2018-11-14 EP claimed
US-20180149611-A1 BIOSENSOR AND METHOD OF FORMING PROBE ON SOLID SURFACE OF BIOSENSOR Caduceus Biotechnology Inc. (TW) 2018-05-31 US claimed
US-20070060744-A1 Process for the synthesis of pyrazolopyrimidines EPOCH BIOSCIENCES, INC. (US) 2007-03-15 US claimed
US-20060014943-A1 Process for the synthesis of pyrazolopyrimidines EPOCH BIOSCIENCES, INC. (US) 2006-01-19 US claimed
US-6962991-B2 Process for the synthesis of pyrazolopyrimidines EPOCH BIOSCIENCES, INC. (US) 2005-11-08 US claimed
US-20040197851-A1 Two-stage protective groups for the synthesis of biopolymers MR. CHRISTOPHER SEAGON, ESQ. (DE) 2004-10-07 US claimed
US-20040191824-A1 Process for the synthesis of pyrazolopyrimidines EPOCH BIOSCIENCES, INC. 2004-09-30 US claimed
EP-1427743-A2 PROCESS FOR THE SYNTHESIS OF PYRAZOLOPYRIMIDINES Epoch Biosciences, Inc. (US) 2004-06-16 EP claimed
EP-1401851-A1 TWO-STAGE PROTECTIVE GROUPS FOR THE SYNTHESIS OF BIOPOLYMERS Febit AG (DE) 2004-03-31 EP claimed
US-20030078413-A1 Process for the synthesis of pyrazolopyrimidines EPOCH BIOSCIENCES, INC. 2003-04-24 US claimed
WO-2003022859-A2 PROCESS FOR THE SYNTHESIS OF PYRAZOLOPYRIMIDINES EPOCH BIOSCIENCES, INC. (US) 2003-03-20 WO claimed
WO-2003004510-A1 TWO-STAGE PROTECTIVE GROUPS FOR THE SYNTHESIS OF BIOPOLYMERS FEBIT AG (DE) 2003-01-16 WO 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 (7 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-10287313-B2 RNA monomers containing 0-acetal levulinyl ester groups and their use in RNA microarrays EFTUD2, RNMT, NSUN2 ALDH1A1 199/4885CYP1A2 3340/4885TSHR 4669/4885
US-20040197851-A1 Two-stage protective groups for the synthesis of biopolymers CTRB2, OGG1, CPB2 ALDH1A1 1433/4885CYP1A2 474/4885TSHR 4581/4885
US-20030078413-A1 Process for the synthesis of pyrazolopyrimidines DPYD, PNP, UMPS ALDH1A1 1288/4885CYP1A2 1248/4885TSHR 2182/4885
US-20060014943-A1 Process for the synthesis of pyrazolopyrimidines DPYD, PNP, UMPS ALDH1A1 1288/4885CYP1A2 1248/4885TSHR 2182/4885
US-20070060744-A1 Process for the synthesis of pyrazolopyrimidines DPYD, PNP, UMPS ALDH1A1 1288/4885CYP1A2 1248/4885TSHR 2182/4885
US-20230092024-A1 Increasing Efficiency Of Photochemical Reactions On Substrates TYR, PCNA, DNMT1 ALDH1A1 1455/4885CYP1A2 615/4885TSHR 4716/4885
US-20240042101-A1 PHOTOPATTERNED BIOMOLECULE IMMOBILIZATION TO GUIDE 3D CELL FATE IN NATURAL PROTEIN-BASED HYDROGELS BTD, HLCS, PTMS ALDH1A1 403/4885CYP1A2 2434/4885TSHR 1059/4885

“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.