SCHEMBL4099200

SCHEMBL4099200

COc1cc(C)c(C=O)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.65
LMNA P02545 3/20 0.51
ALDH1A1 P00352 4/20 0.48
NQO2 P16083 2/20 0.46
CYP19A1 P11511 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
CYP1A1 P04798 3/20 0.44
CYP1B1 Q16678 3/20 0.44
CYP1A2 P05177 3/20 0.44
PRKDC P78527 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 1/20 0.40
MAOA P21397 2/20 0.40

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
2,4,6-Trimethoxybenzaldehyde SCHEMBL34873 0.87 ERN1 (0.74) ERN1LMNAALDH1A1ABCG2CYP1A1
SCHEMBL6268566 0.87 ERN1 (0.52) ERN1LMNAALDH1A1NQO2CYP19A1
2,4,6-Trimethoxybenzaldehyde SCHEMBL28687257 0.85 ERN1 (0.71) ERN1LMNAALDH1A1ABCG2CYP1A1
SCHEMBL14612135 0.84 ERN1 (0.47) ERN1LMNAALDH1A1CYP1A1CYP1B1
2,4,6-Trimethoxybenzaldehyde SCHEMBL28687256 0.83 ERN1 (0.75) ERN1LMNAALDH1A1ABCG2CYP1A1
SCHEMBL4101740 0.83 ERN1 (0.46) ERN1LMNAALDH1A1NQO2CYP19A1
SCHEMBL1225577 0.82 ERN1 (0.52) ERN1LMNAALDH1A1PRKDCKDM4E
SCHEMBL29818620 0.82 ERN1 (0.52) ERN1LMNAALDH1A1NQO2CYP19A1
SCHEMBL2028440 0.81 TTR (0.51) ERN1LMNAALDH1A1CYP1A2KDM4E
SCHEMBL12311288 0.80 ERN1 (0.65) ERN1LMNAALDH1A1ABCG2CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148641-A1 FLAVOR COMPOSITION FIRMENICH SA (CH) 2023-05-18 US claimed
EP-4125427-A1 FLAVOR COMPOSITION Firmenich SA (CH) 2023-02-08 EP claimed
CN-115279206-A Flavor composition 弗门尼舍有限公司 2022-11-01 CN claimed
WO-2021198199-A1 FLAVOR COMPOSITION FIRMENICH SA (CH) 2021-10-07 WO claimed
US-20250002631-A1 Radically Polymerizable Materials For The Production Of Dental Molding With Little Discoloration TECHNISCHE UNIVERSITÄT WIEN (AT) 2025-01-02 US disclosed
EP-4484436-A1 RADICAL POLYMERISABLE MATERIALS FOR PRODUCING DENTAL MOULDED BODIES WITH LOW DISCOLORATION Ivoclar Vivadent AG (LI) 2025-01-01 EP disclosed
US-20230148641-A1 FLAVOR COMPOSITION FIRMENICH SA (CH) 2023-05-18 US disclosed
EP-4125427-A1 FLAVOR COMPOSITION Firmenich SA (CH) 2023-02-08 EP disclosed
CN-115279206-A Flavor composition 弗门尼舍有限公司 2022-11-01 CN disclosed
WO-2021198199-A1 FLAVOR COMPOSITION FIRMENICH SA (CH) 2021-10-07 WO disclosed
US-9896415-B2 Chalcone derivatives having an anti-allergic activity UNIVERSITE CLAUDE BERNARD LYON I (FR) 2018-02-20 US disclosed
EP-3150589-A1 IRE-1A INHIBITORS MannKind Corporation (US) 2017-04-05 EP disclosed
US-20120107365-A1 FILMS AND PARTICLES THE TRUSTEES OF THE BOSTON UNIVERSITY (US) 2012-05-03 US disclosed
US-20110152305-A1 FILMS AND PARTICLES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-06-23 US disclosed
WO-2011024774-A1 SECOND-ORDER NON-LINEAR OPTICAL COMPOUND AND NON-LINEAR OPTICAL ELEMENT COMPRISING SAME 独立行政法人情報通信研究機構 (JP) 2011-03-03 WO disclosed
US-20090047221-A1 COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA NIPRI LIMITED (GB) 2009-02-19 US disclosed
US-20090047221-A1 COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA NIPRI LIMITED (GB) 2009-02-19 US disclosed
US-20090047221-A1 COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA NIPRI LIMITED (GB) 2009-02-19 US disclosed
EP-1807410-A1 COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA NIPRI Limited (GB) 2007-07-18 EP disclosed
WO-2006046071-A1 COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA NIPRI LIMITED (GB) 2006-05-04 WO 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 (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-20110152305-A1 FILMS AND PARTICLES APOB, PGF, ACTB ERN1 4047/4885LMNA 220/4885ALDH1A1 2505/4885
US-20250002631-A1 Radically Polymerizable Materials For The Production Of Dental Molding With Little Discoloration ORMDL3, ME1, MTR ERN1 2034/4885LMNA 1570/4885ALDH1A1 194/4885
US-20090047221-A1 COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA MKI67, TP53, CCNA1 ERN1 1843/4885LMNA 585/4885ALDH1A1 209/4885
US-20120107365-A1 FILMS AND PARTICLES APOB, PGF, ACTB ERN1 4047/4885LMNA 220/4885ALDH1A1 2505/4885

“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.