SCHEMBL4154406

SCHEMBL4154406

[CH2]CCCCCCCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
TSHR P16473 1/20 0.55
HPGD P15428 1/20 0.50
SIGMAR1 Q99720 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
CA12 O43570 1/20 0.41
KAT2B Q92831 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACHE P22303 1/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL7324252 1.00 ALDH1A1 (0.55) ALDH1A1TSHRHPGDSIGMAR1L3MBTL1
SCHEMBL7289593 0.98 ALDH1A1 (0.56) ALDH1A1TSHRHPGDSIGMAR1L3MBTL1
SCHEMBL3028940 0.93 ALDH1A1 (0.58) ALDH1A1TSHRHPGDSIGMAR1L3MBTL1
SCHEMBL1802353 0.85 ALDH1A1 (0.62) ALDH1A1TSHRHPGDSIGMAR1L3MBTL1
SCHEMBL8576604 0.82 ALDH1A1 (0.59) ALDH1A1TSHRHPGDSIGMAR1L3MBTL1
SCHEMBL6398343 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDSIGMAR1MAPT
SCHEMBL6686635 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDSIGMAR1MAPT
SCHEMBL10401024 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDSIGMAR1L3MBTL1
SCHEMBL29350218 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDSIGMAR1MAPT
SCHEMBL1170746 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDSIGMAR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114034687-B Method and device for high-precision detection of calcium ions 中国科学院烟台海岸带研究所 2023-12-29 CN disclosed
US-20230304959-A1 SOLID STATE SOIL SENSOR PLANT BIOSCIENCE LIMITED (GB) 2023-09-28 US disclosed
CN-109557162-A Sensing device and ion detection method 王玉麟 2019-04-02 CN disclosed
EP-2344661-B1 METHODS FOR DETECTING DIHYDROTESTOSTERONE BY MASS SPECTROMETRY QUEST DIAGNOSTICS INVEST INC (US) 2019-02-20 EP disclosed
EP-2659501-B1 QUANTITATION OF INSULIN BY MASS SPECTROMETRY QUEST DIAGNOSTICS INVEST INC (US) 2017-09-06 EP disclosed
EP-3124617-A1 METHODS FOR DETECTING DIHYDROTESTOSTERONE BY MASS SPECTROMETRY Quest Diagnostics Investments Incorporated (US) 2017-02-01 EP disclosed
US-20090028802-A1 ORGANOLEPTICALLY ACCEPTABLE INDOLE SEROTONIN RECEPTOR AGONIST ORAL DOSAGE FORMULATIONS AND METHODS OF USING THE SAME TEIKOKU PHARMA USA, INC. 2009-01-29 US disclosed
US-6200444-B1 Cation-selective sensor INSTITUT FUER CHEMO UND BIOSENSORIK MUENSTER E.V. (DE) 2001-03-13 US disclosed
US-4670218-A HOMOGENEOUS HYDROPHOBIC SUBSTANCE, IONOPHORE CAPABLE OF COMPL EXING WITH THE ION REPORTER SUBSTANCE MILES LABORATORIES, INC. (US) 1987-06-02 US disclosed
US-4645744-A FORMING COMPLEX WITH IONOPHORE ON CARRIER MATRIX MILES LABORATORIES, INC. (US) 1987-02-24 US disclosed
US-4504368-A ELECTRODES, CROWN ETHER EASTMAN KODAK COMPANY (US) 1985-03-12 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 (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-20090028802-A1 ORGANOLEPTICALLY ACCEPTABLE INDOLE SEROTONIN RECEPTOR AGONIST ORAL DOSAGE FORMULATIONS AND METHODS OF USING THE SAME HTR5A, HTR3A, HTR1A ALDH1A1 1081/4885TSHR 207/4885HPGD 2028/4885

“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.