SCHEMBL5496067

SCHEMBL5496067

COc1ccc(/C=C/c2ccc(C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 1.00
ACHE P22303 1/20 0.71
TRPA1 O75762 1/20 0.68
CYP1A2 P05177 3/20 0.65
CYP1A1 P04798 3/20 0.65
CYP1B1 Q16678 3/20 0.65
PTGS2 P35354 3/20 0.65
ESR1 P03372 2/20 0.65
TUBB1 Q9H4B7 2/20 0.65
ALOX5 P09917 2/20 0.65
AHR P35869 2/20 0.65
ABL1 P00519 1/20 0.65
TTR P02766 1/20 0.65
ABCB1 P08183 1/20 0.65
BCR P11274 1/20 0.65
CYP19A1 P11511 1/20 0.65
NQO2 P16083 1/20 0.65
TUBB4A P04350 1/20 0.65
TUBB P07437 1/20 0.65
TUBA3C P0DPH7 1/20 0.65

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
SCHEMBL5496071 1.00 RELA (1.00) RELAACHETRPA1CYP1A2CYP1A1
SCHEMBL10097227 1.00 RELA (1.00) RELAACHETRPA1CYP1A2CYP1A1
SCHEMBL14947047 1.00 RELA (1.00) RELAACHETRPA1CYP1A2CYP1A1
SCHEMBL2622580 0.91 RELA (0.83) RELAACHETRPA1CYP1A2CYP1A1
SCHEMBL699458 0.90 RELA (0.81) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL631998 0.90 RELA (0.81) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL14950253 0.90 RELA (0.81) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL4881152 0.90 RELA (0.81) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL13790336 0.90 RELA (0.81) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL699457 0.90 RELA (0.81) RELATRPA1CYP1A2CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980954-B2 Substituted cis- and trans-stilbenes as therapeutic agents STC.UNM (US) 2015-03-17 US claimed
EP-3116851-B1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INST FOR BIOLOGICAL STUDI (US) 2023-07-26 EP disclosed
EP-3964495-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2022-03-09 EP disclosed
US-9925153-B2 Therapeutic agents for skin diseases and conditions STC.UNM (US) 2018-03-27 US disclosed
US-9925153-B2 Therapeutic agents for skin diseases and conditions STC.UNM (US) 2018-03-27 US disclosed
WO-2018026643-A1 POLYMER NANOPARTICLE, POLYMER COMPOSITION, METHOD OF MAKING A POLYMER NANOPARTICLE, METHOD FOR TREATMENT OF BACTERIAL BIOFILMS, AND METHOD FOR DETECTION OF BACTERIAL BIOFILMS THE UNIVERSITY OF MASSACHUSETTS (US) 2018-02-08 WO disclosed
US-20180021303-A1 BKCA CHANNEL ACTIVATOR FOR TREATING MUSCULAR DISORDER CANBEX THERAPEUTICS LTD (GB) 2018-01-25 US disclosed
US-20170362152-A1 NOVEL 1,2-DIPHENYLETHYLENE GLYCOL COMPOUNDS FOR COMBATING AGING OF THE SKIN, AND COSMETIC USE THEREOF L'OREAL (FR) 2017-12-21 US disclosed
WO-2017078927-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-05-11 WO disclosed
US-9616099-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2017-04-11 US disclosed
US-8193528-B2 Azapyrenes for electronic applications BASF SE (DE) 2012-06-05 US disclosed
US-8193528-B2 Azapyrenes for electronic applications BASF SE (DE) 2012-06-05 US disclosed
US-20110186821-A1 AZAPYRENES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2011-08-04 US disclosed
US-20110186821-A1 AZAPYRENES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2011-08-04 US disclosed
US-20090192154-A1 SULTAM DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-30 US disclosed
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents REGENTS OF THE UNIVERSITY OF NEW MEXICO 2007-10-25 US disclosed
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents REGENTS OF THE UNIVERSITY OF NEW MEXICO 2007-10-25 US disclosed
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents REGENTS OF THE UNIVERSITY OF NEW MEXICO 2007-10-25 US disclosed
US-7201976-B2 Organic electroluminescence material and electroluminescence device using the same SAMSUNG SDI CO., LTD. (KR) 2007-04-10 US disclosed
US-7201976-B2 Organic electroluminescence material and electroluminescence device using the same SAMSUNG SDI CO., LTD. (KR) 2007-04-10 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 (5 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-20180021303-A1 BKCA CHANNEL ACTIVATOR FOR TREATING MUSCULAR DISORDER KCNMA1, KCNMB1, KCNA1 RELA 3172/4885ACHE 479/4885TRPA1 246/4885
US-20110186821-A1 AZAPYRENES FOR ELECTRONIC APPLICATIONS RPS4Y1, NPY4R, XPO4 RELA 3259/4885ACHE 2710/4885TRPA1 1801/4885
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents TGFB1, VHL, TMSB10 RELA 12/4885ACHE 1869/4885TRPA1 1533/4885
US-20170362152-A1 NOVEL 1,2-DIPHENYLETHYLENE GLYCOL COMPOUNDS FOR COMBATING AGING OF THE SKIN, AND COSMETIC USE THEREOF GLA, DSG1, GPX1 RELA 2682/4885ACHE 2088/4885TRPA1 703/4885
US-20090192154-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, ADAMTS1 RELA 1753/4885ACHE 616/4885TRPA1 3813/4885

“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.