SCHEMBL919081

SCHEMBL919081

CCCc1c(OC)cc(C=O)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.50
TSHR P16473 2/20 0.50
FDPS P14324 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
TRIM24 O15164 1/20 0.46
HPGD P15428 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
AOX1 Q06278 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
MAPK1 P28482 1/20 0.41
TTR P02766 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A3 P47895 1/20 0.39
HMGCR P04035 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7196531 0.89 ALDH1A1 (0.47) ALDH1A1TSHRFDPSTDP1TRIM24
SCHEMBL27002149 0.87 ALOX5 (0.47) ALDH1A1TSHRFDPSTDP1TRIM24
SCHEMBL7190150 0.86 ALOX5 (0.50) ALDH1A1TSHRFDPSTDP1TRIM24
SCHEMBL6556526 0.84 ALDH1A1 (0.53) ALDH1A1TSHRFDPSTDP1TRIM24
SCHEMBL918198 0.81 TRPA1 (0.46) ALDH1A1TSHRPDE3BPDE3AHMGCR
SCHEMBL150381 0.80 ALDH1A1 (0.46) ALDH1A1TSHRFDPSTDP1TRIM24
SCHEMBL6931161 0.79 PDE3B (0.41) ALDH1A1TSHRTDP1PDE3BPDE3A
SCHEMBL17853905 0.79 ALDH1A1 (0.47) ALDH1A1TSHRFDPSTDP1TRIM24
SCHEMBL7280410 0.79 ALDH1A1 (0.44) ALDH1A1TSHRFDPSTDP1TRIM24
SCHEMBL146097 0.79 ALDH1A1 (0.47) ALDH1A1TSHRFDPSTDP1TRIM24

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105884581-A Method for preparing 2-(1-methylethyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol 上海复星医药产业发展有限公司 2016-08-24 CN claimed
CN-104003848-B (E)-3,5-dihydroxyl-4-isopropyl toluylene preparation methods WUHAN NUOAN PHARMACY CO., LTD. (CN) 2016-02-10 CN claimed
CN-103992212-B Synthesis method for cis-benvitimod, and applications of cis-benvitimod UNIV HEBEI SCIENCE & TECH 2015-07-01 CN claimed
US-20230285327-A1 DESOXYSCALINE DERIVATIVES WITH MODIFIED MESCALINE-LIKE ACTION Mind Medicine, Inc. (US) 2023-09-14 US disclosed
WO-2023091437-A1 DESOXYSCALINE DERIVATIVES WITH MODIFIED MESCALINE-LIKE ACTION Mind Medicine, Inc. (US) 2023-05-25 WO disclosed
US-20230150906-A1 DESOXYSCALINE DERIVATIVES WITH MODIFIED MESCALINE-LIKE ACTION Mind Medicine, Inc. (US) 2023-05-18 US disclosed
CN-105884581-A Method for preparing 2-(1-methylethyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol 上海复星医药产业发展有限公司 2016-08-24 CN disclosed
WO-2016100542-A1 INDENYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF ADT PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed
CN-103467281-B A kind of phenol derivatives and application thereof WUHAN INNERSE PHARMACEUTICALS CO., LTD. (CN) 2016-03-23 CN disclosed
CN-104003848-B (E)-3,5-dihydroxyl-4-isopropyl toluylene preparation methods WUHAN NUOAN PHARMACY CO., LTD. (CN) 2016-02-10 CN disclosed
CN-103992212-B Synthesis method for cis-benvitimod, and applications of cis-benvitimod UNIV HEBEI SCIENCE & TECH 2015-07-01 CN disclosed
US-7868047-B2 Anti-inflammatory and psoriasis treatment and protein kinase inhibition by hydroxy stilbenes and novel stilbene derivatives and analogues WELICHEM BIOTECH INC. (CA) 2011-01-11 US disclosed
US-20100094041-A1 ANTI-INFLAMMATORY AND PSORIASIS TREATMENT AND PROTEIN KINASE INHIBITION BY HYDROXY STILBENES AND NOVEL STILBENE DERIVATIVES AND ANALOGUES WELICHEM BIOTECH INC. (CA) 2010-04-15 US disclosed
US-20080139666-A1 Anti-Inflammatory and Psoriasis Treatment and Protein Kinase Inhibition by Hydroxy Stilbenes and Novel Stilbene Derivatives and Analogues WELICHEM BIOTECH INC. (CA) 2008-06-12 US disclosed
EP-1554236-A1 NOVEL BIOACTIVE DIPHENYL ETHENE COMPOUNDS AND THEIR THERAPEUTIC APPLICATIONS Welichem Biotech Inc. (CA) 2005-07-20 EP disclosed
US-20050059733-A1 Anti-inflammatory and psoriasis treatment and protein kinase inhibition by hydroxy stilbenes and novel stilbene derivatives and analogues WELICHEM BIOTECH, INC. 2005-03-17 US disclosed
WO-2004031117-A1 NOVEL BIOACTIVE DIPHENYL ETHENE COMPOUNDS AND THEIR THERAPEUTIC APPLICATIONS WELICHEM BIOTECH INC. (CA) 2004-04-15 WO disclosed
EP-1368306-A1 NOVEL 1,2-DIPHENYLETHENE DERIVATIVES FOR TREATMENT OF IMMUNE DISEASES Welichem Biotech Inc. (CA) 2003-12-10 EP disclosed
WO-2002057219-A1 NOVEL 1,2-DIPHENYLETHENE DERIVATIVES FOR TREATMENT OF IMMUNE DISEASES WELICHEM BIOTECH INC. (CA) 2002-07-25 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 (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-20050059733-A1 Anti-inflammatory and psoriasis treatment and protein kinase inhibition by hydroxy stilbenes and novel stilbene derivatives and analogues NFKBIA, IKBKB, IKBKE ALDH1A1 3063/4885TSHR 3934/4885FDPS 1586/4885
US-20080139666-A1 Anti-Inflammatory and Psoriasis Treatment and Protein Kinase Inhibition by Hydroxy Stilbenes and Novel Stilbene Derivatives and Analogues LTK, MMP8, CHUK ALDH1A1 4482/4885TSHR 2854/4885FDPS 2260/4885
US-20100094041-A1 ANTI-INFLAMMATORY AND PSORIASIS TREATMENT AND PROTEIN KINASE INHIBITION BY HYDROXY STILBENES AND NOVEL STILBENE DERIVATIVES AND ANALOGUES CHUK, MAP3K8, MAP3K1 ALDH1A1 4139/4885TSHR 4202/4885FDPS 2525/4885

“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.