SCHEMBL4576166

SCHEMBL4576166

C=Cc1cc(OC)c(C(C)C)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
ALDH1A1 P00352 5/20 0.35
TSHR P16473 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
GAA P10253 3/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A1 P04798 4/20 0.34
CYP1B1 Q16678 4/20 0.34
CYP1A2 P05177 3/20 0.34
NQO2 P16083 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32

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
SCHEMBL918844 0.79 ALDH1A1 (0.53) ALDH1A1TSHRPDE3BPDE3AMAPT
SCHEMBL30626955 0.76 ALDH1A1 (0.46) ALDH1A1TSHRPDE3BPDE3AGAA
SCHEMBL28569874 0.76 TRPA1 (0.50) TRPA1ALDH1A1GAAMAPTKMT2A
SCHEMBL13801049 0.76 TRPA1 (0.53) TRPA1ALDH1A1TSHRGAAMAPT
SCHEMBL5613600 0.76 CYP1A1 (0.55) TRPA1ALDH1A1GAAMAPTCYP1A1
SCHEMBL28781669 0.76 PDE3B (0.38) PDE3BPDE3AGAAMAPTKDM4E
SCHEMBL4576879 0.75 CYP1A1 (0.65) ALDH1A1TSHRGAAMAPTKMT2A
SCHEMBL4576878 0.75 CYP1A1 (0.65) ALDH1A1TSHRGAAMAPTKMT2A
SCHEMBL16959301 0.75 TRPA1 (0.58) TRPA1ALDH1A1TSHRGAACYP1A1
SCHEMBL727024 0.74 TRPA1 (0.62) TRPA1ALDH1A1GAAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF UNIV IOWA STATE RES FOUND INC (US) 2023-06-08 US disclosed
CN-104744243-B (E)-2-phenyl-3-(3,5-dimethoxy-4 '-isopropyl benzene) purification method of propenoic acid HEBEI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-04-06 CN disclosed
CN-104744243-A Purifying method of (E)-2-phenyl-3-(3,5-dimethoxy-4-isopropyl benzene) crylic acid UNIV HEBEI SCIENCE & TECH 2015-07-01 CN disclosed
CN-1688535-B Novel bioactive diphenyl ethene compounds and their therapeutic applications BEIJING WENFENG TIANJI MEDICINE TECHNOLOGY CO LTD 2011-11-09 CN disclosed
US-20080255245-A1 Anti-Inflammatory and Psoriasis Treatment and Protein Kinase Inhibition by Hydroxystilbenes and Novel Stilbene Derivatives and Analogues WELICHEM BIOTECH INC. (CA) 2008-10-16 US disclosed
US-7321050-B2 Anti-inflammatory and psoriasis treatment and protein kinase inhibition by hydroxy stilbenes and novel stilbene derivatives and analogues WELICHEM BIOTECH INC. (CA) 2008-01-22 US disclosed
CN-1688535-A Novel bioactive diphenyl ethene compounds and their therapeutic applications WELICHEM BIOTECH INC (CA) 2005-10-26 CN 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

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 TRPA1 1750/4885ALDH1A1 3063/4885TSHR 3934/4885
US-20080255245-A1 Anti-Inflammatory and Psoriasis Treatment and Protein Kinase Inhibition by Hydroxystilbenes and Novel Stilbene Derivatives and Analogues NFKBIA, IKBKB, IKBKE TRPA1 1740/4885ALDH1A1 3081/4885TSHR 3759/4885
US-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF C5, CYP51A1, DDT TRPA1 5/4885ALDH1A1 2604/4885TSHR 4291/4885

“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.