SCHEMBL4146830

SCHEMBL4146830

C/C=C/c1ccc(C=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.55
▸ ALDH1A1 P00352 8/20 0.52
▸ LMNA P02545 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ TYR P14679 1/20 0.48
▸ CYP2A13 Q16696 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ALDH5A1 P51649 1/20 0.48
▸ ABAT P80404 1/20 0.48
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALDH1A3 P47895 2/20 0.44
▸ ALDH3A1 P30838 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CNR2 P34972 1/20 0.43

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
SCHEMBL2679430 1.00 CYP2A6 (0.55) CYP2A6ALDH1A1LMNAKDM4ETP53
SCHEMBL7848443 0.97 CYP2A6 (0.52) CYP2A6ALDH1A1LMNAKDM4ETP53
Dimethylamine SCHEMBL6609422 0.93 CYP2A6 (0.48) CYP2A6ALDH1A1LMNAKDM4ETP53
SCHEMBL9461723 0.85 CYP3A4 (0.65) ALDH1A1LMNAKDM4ETP53CYP3A4
SCHEMBL333123 0.85 CYP3A4 (0.65) ALDH1A1LMNAKDM4ETP53CYP3A4
SCHEMBL7527708 0.85 CYP3A4 (0.65) ALDH1A1LMNAKDM4ETP53CYP3A4
SCHEMBL9004502 0.82 CYP2A6 (0.58) CYP2A6ALDH1A1KDM4ETYRCYP2A13
SCHEMBL4195180 0.82 CYP2A6 (0.58) CYP2A6ALDH1A1KDM4ETYRCYP2A13
SCHEMBL4195177 0.82 CYP2A6 (0.58) CYP2A6ALDH1A1KDM4ETYRCYP2A13
SCHEMBL806367 0.82 CYP2A6 (0.58) CYP2A6ALDH1A1KDM4ETYRCYP2A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117551023-A Preparation method and application of N-thio-phenyl phthalimide compound 太原理工大学 2024-02-13 — — CN claimed
CN-117447370-A Preparation method of aggregation-induced emission material tetraaryl divinyl sulfide 山西蓬勃健康科技有限公司 2024-01-26 — — CN claimed
CN-110128369-A Benzo [d] isothiazole -3 (2H) -one derivative and its preparation method and application 东南大学 2019-08-16 — — CN claimed
CN-105985389-A Phenylethanoid glycoside analogue and synthesis method and application thereof 北京大学 2016-10-05 — — CN claimed
CN-103263872-B A kind of dispersant and color pigment liquid, photoresist BOE Technology Group Co.,Ltd. (CN) 2015-11-25 — — CN claimed
CN-103263872-A Dispersing agent, color pigment liquid and photoresist BOE TECHNOLOGY GROUP CO LTD 2013-08-28 — — CN claimed
CN-102000057-B Application of 4-cinnamoyl chloride substituted silybin in preparing glycosidase inhibitors UNIV DALI 2012-10-10 — — CN claimed
CN-101829099-A Application of 4-cinnamoyl chloride silybin in preparing medicaments for treating viral hepatitis B UNIV DALI 2010-09-15 — — CN claimed
US-20090068126-A1 Composition for surface photoprotection SOARES ROMEIRO LUIZ ANTONIO 2009-03-12 — — US claimed
CN-101111475-A Antiviral compounds and methods BIOTRON LTD (AU) 2008-01-23 — — CN claimed
EP-1812027-A2 COMPOUNDS CAPABLE OF ABSORBING ULTRAVIOLET RADIATION, COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION Universidade Federal Do Rio De Janeiro - UFRJ (BR) 2007-08-01 — — EP claimed
CN-1775762-A Liyustrazine acyl piperazine derivative, and its preparing method and medicinal composition and use UNIV SHANDONG (CN) 2006-05-24 — — CN claimed
WO-2006042391-A2 PHOTOPROTECTIVE PHENOL DERIVATIVES OBTAINED FROM CASHEW NUT-SHELL LIQUID UNIVERSIDADE FEDERAL DO RIO DE JANEIRO-UFRJ (BR) 2006-04-27 — — WO claimed
US-6288232-B2 REACTION OF ACETYLNAPHTHALIC ANHYDRIDE AND ALDEHYDE IN THE PRESENCE OF AQUEOUS BASE AND BOILING IN THE PRESENCE OF ANILINE COMPOUND EMAGIN CORPORATION 2001-09-11 — — US claimed
CN-117551023-A Preparation method and application of N-thio-phenyl phthalimide compound 太原理工大学 2024-02-13 — — CN disclosed
CN-117447370-A Preparation method of aggregation-induced emission material tetraaryl divinyl sulfide 山西蓬勃健康科技有限公司 2024-01-26 — — CN disclosed
US-20210046041-A1 DEVICE AND METHOD FOR ADMINISTERING AN ACTIVE INGREDIENT WILMINGTON TRUST, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2021-02-18 — — US disclosed
CN-1465653-A Liquid crystal oriented film, and preparation and use thereof 中国科学院化学研究所 2004-01-07 — — CN disclosed
CN-1336372-A Seleno morpholine, its derivative and their prepn. and use UNIV WUHAN (CN) 2002-02-20 — — CN disclosed
CN-1282335-A Phosphonocephem derivatives, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-01-31 — — CN 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 (2 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-20210046041-A1 DEVICE AND METHOD FOR ADMINISTERING AN ACTIVE INGREDIENT CNR1, CNR2, FAAH CYP2A6 43/4885ALDH1A1 1611/4885LMNA 3829/4885
US-20090068126-A1 Composition for surface photoprotection S100A10, CD63, S100A9 CYP2A6 3004/4885ALDH1A1 1804/4885LMNA 873/4885

“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.

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