SCHEMBL335423

SCHEMBL335423

C(=NCCN1CCOCC1)=NC1CCCCC1.CCc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.46
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ALDH1A1 P00352 5/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7A Q13946 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RORC P51449 1/20 0.35
IL17A Q16552 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3459786 0.90 CYP1A2 (0.65) CYP1A2CYP2C9ALDH1A1HPGDLMNA
SCHEMBL7072020 0.90 CYP1A2 (0.59) CYP1A2CYP2C9ALDH1A1HPGDLMNA
SCHEMBL1807959 0.89 CYP1A2 (0.58) CYP1A2CYP2C9ALDH1A1PDE4DPDE7A
SCHEMBL6233305 0.88 CYP1A2 (0.59) CYP1A2CYP2C9ALDH1A1HPGDLMNA
Ethylbenzene SCHEMBL7167647 0.86 CYP1A2 (0.71) CYP1A2CYP2C9ALDH1A1HPGDKMT2A
SCHEMBL335424 0.85 CYP1A2 (0.61) CYP1A2CYP2C9ALDH1A1HPGDKMT2A
P-Xylene SCHEMBL3752326 0.85 CYP1A2 (0.70) CYP1A2CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL2729317 0.84 CYP1A2 (0.80) CYP1A2CYP2C9ALDH1A1PDE4DPDE7A
Sulfuric Acid SCHEMBL31183034 0.84 CYP1A2 (0.84) CYP1A2CYP2C9ALDH1A1KDM4E
SCHEMBL6706173 0.84 CRHBP (0.41) CYP1A2CYP2C9CRHBPCRHR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078124-A1 METHODS OF PREPARING ERGOLINE ANALOGS UNIV CALIFORNIA (US) 2026-03-19 US claimed
WO-2025119223-A1 METHOD FOR SYNTHESIZING AMANITIN AND DERIVATIVE THEREOF 上海皓元生物医药科技有限公司 2025-06-12 WO claimed
US-11827608-B2 Method of preparing pyrimidine cyclohexyl glucocorticoid receptor modulators CORCEPT THERAPEUTICS INCORPORATED (US) 2023-11-28 US claimed
EP-4241083-A1 DERIVATIZATION OF AT LEAST ONE ANALYTE OF INTEREST FOR MASS SPEC MEASUREMENTS IN PATIENT SAMPLES F. Hoffmann-La Roche AG (CH) 2023-09-13 EP claimed
US-20230273217-A1 DERIVATIZATION OF AT LEAST ONE ANALYTE OF INTEREST FOR MASS SPEC MEASUREMENTS IN PATIENT SAMPLES ROCHE DIAGNOSTICS OPERATIONS, INC. 2023-08-31 US claimed
US-11718576-B2 Compositions and methods comprising resveratrol BIOCOGENT, LLC (US) 2023-08-08 US claimed
US-20220267838-A1 Sensitive and Accurate Genome-wide Profiling of RNA Structure In Vivo THE PENN STATE RESEARCH FOUNDATION 2022-08-25 US claimed
US-20220234984-A1 COMPOSITIONS AND METHODS COMPRISING RESVERATROL BIOCOGENT, LLC 2022-07-28 US claimed
US-20220220081-A1 METHOD OF PREPARING PYRIMIDINE CYCLOHEXYL GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS INCORPORATED 2022-07-14 US claimed
WO-2022096329-A1 DERIVATIZATION OF AT LEAST ONE ANALYTE OF INTEREST FOR MASS SPEC MEASUREMENTS IN PATIENT SAMPLES F. HOFFMANN-LA ROCHE AG (CH) 2022-05-12 WO claimed
US-20070123724-A1 Method for preparing curable amide gellant compounds XEROX CORPORATION 2007-05-31 US claimed
US-20070123663-A1 Process for making curable amide gellant compounds XEROX CORPORATION 2007-05-31 US claimed
US-7052887-B2 Method for immobilization of (an) affinity reagent(s) on a hydrophobic solid phase BIO-RAD PASTEUR (FR) 2006-05-30 US claimed
EP-1247096-B1 METHOD FOR IMMOBILISATION OF (AN) AFFINITY REAGENT(S) ON A HYDROPHOBIC SOLID PHASE BIO RAD PASTEUR (FR) 2005-03-30 EP claimed
US-20040115192-A1 Ligand-targeted emulsions carrying bioactive agents LANZA GREGORY M (US) 2004-06-17 US claimed
US-20040052797-A1 Method for immobilisation of (an) affinity reagent(s) on a hydrophobic solid phase BIO-RAD EUROPE GMBH (CH) 2004-03-18 US claimed
US-6676963-B1 PROVIDE PROLONGED ASSOCIATION AND INCREASED CONTACT WITH LIPID BILAYER OF SPECIFIED TISSUES OR CELLS BARNES-JEWISH HOSPITAL 2004-01-13 US claimed
US-5401634-A Stable biologically active fluorochemical emulsions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-28 US claimed
EP-0340605-A2 Ruthenium complexes containing a DNA or RNA sequence F. HOFFMANN-LA ROCHE AG (CH) 1989-11-08 EP claimed
US-4614723-A Porphyrin derivatives as fluorescent markers for immunoassays HOFFMANN-LA ROCHE INC. (US) 1986-09-30 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 (4 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-20070123724-A1 Method for preparing curable amide gellant compounds ODC1, INO80C, AOC1 CYP1A2 943/4885CYP2C9 1048/4885CRHBP 2696/4885
US-20220220081-A1 METHOD OF PREPARING PYRIMIDINE CYCLOHEXYL GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, MC2R CYP1A2 541/4885CYP2C9 700/4885CRHBP 149/4885
US-11827608-B2 Method of preparing pyrimidine cyclohexyl glucocorticoid receptor modulators NR3C1, NR3C2, MC2R CYP1A2 541/4885CYP2C9 700/4885CRHBP 149/4885
US-20260078124-A1 METHODS OF PREPARING ERGOLINE ANALOGS HTR1A, HTR2A, HTR7 CYP1A2 732/4885CYP2C9 3685/4885CRHBP 1302/4885

“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.