SCHEMBL6459927

SCHEMBL6459927

FC(F)(F)c1ccc(/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.68
PTGS1 P23219 1/20 0.68
NQO2 P16083 1/20 0.60
CYP1A2 P05177 1/20 0.53
NFE2L2 Q16236 2/20 0.52
FBP1 P09467 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
HDAC3 O15379 1/20 0.48
ADAM17 P78536 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
CYP1A1 P04798 2/20 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
SCHEMBL6803478 1.00 AHR (0.68) AHRPTGS1NQO2CYP1A2NFE2L2
SCHEMBL6465459 1.00 AHR (0.68) AHRPTGS1NQO2CYP1A2NFE2L2
SCHEMBL13790220 0.95 PTGS1 (0.61) AHRPTGS1NQO2CYP1A2NFE2L2
SCHEMBL22931544 0.88 AHR (0.68) AHRPTGS1NQO2CYP1A2NFE2L2
SCHEMBL13790273 0.88 AHR (0.68) AHRPTGS1NQO2CYP1A2NFE2L2
SCHEMBL13790263 0.88 AHR (0.68) AHRPTGS1NQO2CYP1A2NFE2L2
SCHEMBL18002518 0.86 AHR (0.58) AHRPTGS1NQO2CYP1A2NFE2L2
SCHEMBL29507308 0.85 AHR (0.65) AHRPTGS1NQO2CYP1A2NFE2L2
SCHEMBL21064470 0.85 CYP19A1 (0.57) AHRPTGS1NQO2NFE2L2
SCHEMBL14363044 0.85 NFE2L2 (0.71) AHRPTGS1NQO2NFE2L2CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1418164-A1 New stilbene derivatives and their use as aryl hydrocarbon receptor ligand antagonists INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2004-05-12 EP claimed
US-20250179435-A1 METHODS AND COMPOSITIONS RELATING TO HEMATOPOIETIC STEM CELL EXPANSION CHILDREN'S MEDICAL CENTER CORPORATION (US) 2025-06-05 US disclosed
EP-4049665-B1 METHODS AND COMPOSITIONS RELATING TO HEMATOPOIETIC STEM CELL EXPANSION CHILDRENS MEDICAL CT CORP (US) 2025-03-12 EP disclosed
EP-3313420-B1 METHODS AND COMPOSITIONS RELATING TO HEMATOPOIETIC STEM CELL EXPANSION, ENRICHMENT, AND MAINTENANCE CHILDRENS MEDICAL CT CORP (US) 2024-03-13 EP disclosed
US-11891625-B2 Methods and compositions relating to hematopoietic stem cell expansion, enrichment, and maintenance CHILDREN'S MEDICAL CENTER CORPORATION 2024-02-06 US disclosed
EP-4049665-A1 METHODS AND COMPOSITIONS RELATING TO HEMATOPOIETIC STEM CELL EXPANSION Children's Medical Center Corporation (US) 2022-08-31 EP disclosed
EP-3429603-B1 METHODS AND COMPOSITIONS RELATING TO HEMATOPOIETIC STEM CELL EXPANSION CHILDRENS MEDICAL CENTER (US) 2021-12-29 EP disclosed
US-20200248143-A1 METHODS AND COMPOSITIONS RELATING TO HEMATOPOIETIC STEM CELL EXPANSION, ENRICHMENT, AND MAINTENANCE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-08-06 US disclosed
US-10669528-B2 Methods and compositions relating to hematopoietic stem cell expansion, enrichment, and maintenance CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-06-02 US disclosed
US-20190119642-A1 METHODS AND COMPOSITIONS RELATING TO HEMATOPOIETIC STEM CELL EXPANSION CHILDREN'S MEDICAL CENTER CORPORATION (US) 2019-04-25 US disclosed
WO-2017161001-A1 METHODS AND COMPOSITIONS RELATING TO HEMATOPOIETIC STEM CELL EXPANSION CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-09-21 WO disclosed
WO-2016210292-A1 METHODS AND COMPOSITIONS RELATING TO HEMATOPOIETIC STEM CELL EXPANSION, ENRICHMENT, AND MAINTENANCE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2016-12-29 WO disclosed
EP-1585713-A1 NEW STILBENE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR LIGAND ANTAGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2005-10-19 EP disclosed
US-20040147788-A1 Stilbene derivatives and their use as aryl hydrocarbon receptor antagonistic ligands INSTITUTE NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (I.N.S.E.R.M.) (FR) 2004-07-29 US disclosed
WO-2004041758-A1 NEW STILBENE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR LIGAND ANTAGONISTICS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (I.N.S.E.R.M.) (FR) 2004-05-21 WO disclosed
EP-1418164-A1 New stilbene derivatives and their use as aryl hydrocarbon receptor ligand antagonists INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2004-05-12 EP disclosed
US-20040034063-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-02-19 US disclosed
US-6605623-B1 Prevention of asthma and other allergic diseases BRISTOL-MYERS SQUIBB PHARMA CO. 2003-08-12 US disclosed
US-6525069-B1 Such as N-(t-butyl)-N'-(2-((3-(4-fluorophenyl)methyl)piperi -dinyl)methyl)cyclohexyl)urea; prevention of asthma and other allergic diseases BRISTOL-MYERS SQUIBB PHARMA CO. 2003-02-25 US disclosed
US-6444686-B1 FOR THE PREVENTION OF ASTHMA AND OTHER ALLERGIC DISEASES. BRSITOL-MYERS SQUIBB PHARMA COMPANY 2002-09-03 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 (6 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-20200248143-A1 METHODS AND COMPOSITIONS RELATING TO HEMATOPOIETIC STEM CELL EXPANSION, ENRICHMENT, AND MAINTENANCE HDAC1, EHMT1, MCL1 AHR 755/4885PTGS1 3097/4885NQO2 3350/4885
US-20040147788-A1 Stilbene derivatives and their use as aryl hydrocarbon receptor antagonistic ligands AHR, HCAR3, HCAR1 AHR 1/4885PTGS1 2187/4885NQO2 1587/4885
US-10669528-B2 Methods and compositions relating to hematopoietic stem cell expansion, enrichment, and maintenance HDAC1, EHMT1, MCL1 AHR 755/4885PTGS1 3097/4885NQO2 3350/4885
US-20040034063-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, CCR10 AHR 745/4885PTGS1 282/4885NQO2 1837/4885
US-20250179435-A1 METHODS AND COMPOSITIONS RELATING TO HEMATOPOIETIC STEM CELL EXPANSION MCL1, HCLS1, KIT AHR 1844/4885PTGS1 2861/4885NQO2 2069/4885
US-11891625-B2 Methods and compositions relating to hematopoietic stem cell expansion, enrichment, and maintenance HDAC1, EHMT1, MCL1 AHR 755/4885PTGS1 3097/4885NQO2 3350/4885

“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.