SCHEMBL503334

SCHEMBL503334

C=CCOC(=O)c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
TDP1 Q9NUW8 3/20 0.59
KMT2A Q03164 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
SNCA P37840 1/20 0.56
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 2/20 0.55
MAPT P10636 3/20 0.54
MAPK1 P28482 1/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
AGTR1 P30556 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 1/20 0.49

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
Hydrochloric Acid SCHEMBL27365345 0.98 LMNA (0.57) LMNATDP1KMT2AL3MBTL1SNCA
Charcoal, Activated SCHEMBL9762824 0.98 LMNA (0.57) LMNATDP1KMT2AL3MBTL1SNCA
SCHEMBL21963615 0.89 MAPT (0.63) LMNAKMT2ASNCAALDH1A1KDM4E
SCHEMBL21243068 0.87 LMNA (0.62) LMNATDP1KMT2AL3MBTL1ALDH1A1
SCHEMBL1817895 0.81 KMT2A (0.64) LMNATDP1KMT2AL3MBTL1ALDH1A1
SCHEMBL25009812 0.81 L3MBTL1 (0.76) LMNATDP1KMT2AL3MBTL1ALDH1A1
SCHEMBL30556174 0.81 L3MBTL1 (0.76) LMNATDP1KMT2AL3MBTL1ALDH1A1
SCHEMBL11524023 0.80 L3MBTL1 (0.61) LMNATDP1KMT2AL3MBTL1ALDH1A1
SCHEMBL21946333 0.80 KMT2A (0.51) LMNATDP1KMT2AL3MBTL1ALDH1A1
SCHEMBL9238807 0.80 SNCA (0.77) LMNAKMT2AL3MBTL1SNCAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114644613-A Method for preparing artificial synthesized racemic nicotine 湖北和诺生物工程股份有限公司 2022-06-21 CN claimed
WO-2021212880-A1 METHOD FOR ASYMMETRICALLY PREPARING NICOTINE 凯特立斯(深圳)科技有限公司 (CN) 2021-10-28 WO claimed
EP-3362436-B1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS UNIV ANTWERPEN (BE) 2021-06-30 EP claimed
EP-3362436-A1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS Universiteit Antwerpen (BE) 2018-08-22 EP claimed
WO-2017046133-A1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS UNIVERSITEIT ANTWERPEN (BE) 2017-03-23 WO claimed
EP-2947092-B1 PROCESS FOR THE PREPARATION OF UNSATURATED TRIFLUOROMETHANESULPHONATE STEROID DERIVATIVES OLON SPA (IT) 2016-12-14 EP claimed
US-9315541-B2 Process for the preparation of unsaturated trifluoromethanesulfonate steroid derivatives OLON S.P.A. (IT) 2016-04-19 US claimed
US-20150337007-A1 PROCESS FOR THE PREPARATION OF UNSATURATED TRIFLUOROMETHANESULFONATE STEROID DERIVATIVES OLON S.P.A. (IT) 2015-11-26 US claimed
EP-2947092-A1 PROCESS FOR THE PREPARATION OF UNSATURATED TRIFLUOROMETHANESULPHONATE STEROID DERIVATIVES OLON S.p.A. (IT) 2015-11-25 EP claimed
CN-103145704-A 1,4-dihydro-1,8-nalidixic acid derivatives, their pharmaceutical composition and use of the pharmaceutical composition JIANGSU SIMCERE PHARM CO LTD 2013-06-12 CN claimed
US-20060147508-A1 Concurrent Enhancement of Skin Penetration of Organic Base Active Agents and Organic Hydroxy Acid Active Agents as Their Ion-Pair Complexes BIODERM RESEARCH (US) 2006-07-06 US claimed
EP-0901377-A1 ACNE TREATMENT Mainstar One Investments Pty. Ltd. (AU) 1999-03-17 EP claimed
EP-0576622-B1 LITHOGRAPHIC PRINTING PLATES EASTMAN KODAK CO (US) 1997-11-05 EP claimed
WO-1997035597-A1 ACNE TREATMENT MAINSTAR ONE INVESTMENTS PTY. LTD. (AU) 1997-10-02 WO claimed
US-5240945-A Applying topically lower alkyl nicotinate WARSHAW THELMA G (US) 1993-08-31 US claimed
WO-1993015713-A2 METHOD AND COMPOSITIONS FOR TREATING ACNE WARSHAW THELMA G (US) 1993-08-19 WO claimed
CN-1055925-A Pyridine derivate and preparation method thereof ICI PLC (GB) 1991-11-06 CN claimed
US-5043162-A Mixture of lower alkyl nicotinate and histamine hydrochloride TRAGER SEYMOUR F (US) 1991-08-27 US claimed
US-4543166-A NICKEL, COBALT, ELECTRODEPOSITION, BRIGHTENERS, PUCTILITY, SULFONATES OMI INTERNATIONAL CORPORATION (US) 1985-09-24 US claimed
US-4204065-A Soft quaternary surface active agents and method of using same INTERX RESEARCH CORPORATION (US) 1980-05-20 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 (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-20150337007-A1 PROCESS FOR THE PREPARATION OF UNSATURATED TRIFLUOROMETHANESULFONATE STEROID DERIVATIVES NR5A1, AKR1C4, AR LMNA 1680/4885TDP1 4077/4885KMT2A 2087/4885

“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.