SCHEMBL335422

SCHEMBL335422

C(=NCCN1CCOCC1)=NC1CCCCC1.Cc1ccc(S(=O)(=O)O)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 1/20 0.39
EPHX2 P34913 6/20 0.37
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL31278334 1.00 CYP1A2 (0.59) CYP1A2CYP2C9ALDH1A1EPHX2KMT2A
SCHEMBL9436866 0.93 CYP1A2 (0.59) CYP1A2CYP2C9ALDH1A1KMT2AMAPT
SCHEMBL4988124 0.89 CYP1A2 (0.55) CYP1A2CYP2C9ALDH1A1KMT2ATHRB
SCHEMBL4015131 0.89 CYP1A2 (0.61) CYP1A2CYP2C9ALDH1A1KMT2AL3MBTL1
P-Xylene SCHEMBL3752326 0.88 CYP1A2 (0.70) CYP1A2CYP2C9ALDH1A1HTTTSHR
SCHEMBL6233302 0.88 CYP1A2 (0.53) CYP1A2CYP2C9ALDH1A1KMT2AMAPT
SCHEMBL3459786 0.88 CYP1A2 (0.65) CYP1A2CYP2C9ALDH1A1KMT2AMAPT
SCHEMBL10752281 0.86 CYP1A2 (0.58) CYP1A2CYP2C9ALDH1A1L3MBTL1
SCHEMBL335424 0.85 CYP1A2 (0.61) CYP1A2CYP2C9ALDH1A1KMT2AL3MBTL1
SCHEMBL11217225 0.84 CYP1A2 (0.58) CYP1A2CYP2C9ALDH1A1KMT2ATSHR

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 387 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
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-20050032144-A1 Method for selective conjugation of analytes to enzymes without unwanted enzyme-enzyme cross-linking NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-10 US 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
WO-2003043978-A2 METHOD FOR SELECTIVE CONJUGATION OF ANALYTES TO ENZYMES WITHOUT UNWANTED ENZYME-ENZYME CROSS-LINKING UNIVERSITY AND COMMUNITY COLLEGE SYSTEM OF NEVADA ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2003-05-30 WO claimed
US-5401634-A Stable biologically active fluorochemical emulsions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-28 US claimed
US-4794083-A WITH CARBODIMIDE ON A POLYMER WITH AMINO OR CARBOXY FUNCTJONAL GROUPS REANAL FINOMVEGYSZERGYAR (HU) 1988-12-27 US claimed
US-4614723-A Porphyrin derivatives as fluorescent markers for immunoassays HOFFMANN-LA ROCHE INC. (US) 1986-09-30 US claimed
US-4593004-A Activating with carbodiimide compound REANAL FINOMVEGYSZERGYAR (HU) 1986-06-03 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 (3 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-20220220081-A1 METHOD OF PREPARING PYRIMIDINE CYCLOHEXYL GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, MC2R CYP1A2 541/4885CYP2C9 700/4885ALDH1A1 2431/4885
US-11827608-B2 Method of preparing pyrimidine cyclohexyl glucocorticoid receptor modulators NR3C1, NR3C2, MC2R CYP1A2 541/4885CYP2C9 700/4885ALDH1A1 2431/4885
US-20260078124-A1 METHODS OF PREPARING ERGOLINE ANALOGS HTR1A, HTR2A, HTR7 CYP1A2 732/4885CYP2C9 3685/4885ALDH1A1 1691/4885

“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.